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name Structure Reference Source Properties Activities Metabolism

3-Pyridinecarboxamide; N'-Me 

AlkaPlorer ID: AK002708

Synonym: N-Methyl-3-pyridinecarboxamide, N-Methylnicotinamide, 3-(Methylcarbamoyl)pyridine 

IUPAC Name: N-methylpyridine-3-carboxamide

Structure

SMILES: CN=C(O)C1=CC=CN=C1

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InChI: InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)

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InChIKey: ZYVXHFWBYUDDBM-UHFFFAOYSA-N

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Reference

PubChem CID: 64950

CAS: 114-33-0

SuperNatural Ⅲ: SN0483988

NPASS: NPC212125

COCONUT: CNP0108098

Properties Information

Molecule Weight: 136.154

TPSA？: 45.48

MolLogP？: 1.016

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Canalicular multispecific organic anion transporter 1 Activity 101.0 % 10.1021/jm7015683
Homo sapiens Solute carrier family 22 member 1 Activity 1035.0 uM 10.1124/mol.63.3.489
Homo sapiens Solute carrier family 22 member 1 Activity nan None 10.1089/dna.1997.16.871
Homo sapiens Solute carrier family 22 member 1 Activity nan None 10.1124/mol.51.6.913
Homo sapiens Solute carrier family 22 member 1 Inhibition 13.9 % 10.1021/jm8003152
Homo sapiens Solute carrier family 22 member 1 Ki 7700000.0 nM None
Homo sapiens Solute carrier family 22 member 2 Activity nan None 10.1074/jbc.m108472200
Homo sapiens Solute carrier family 22 member 2 Activity nan None 10.1097/01.asn.0000019413.78751.46
Homo sapiens Solute carrier family 22 member 2 Ki 266000.0 nM 10.1089/dna.1997.16.871
Homo sapiens Solute carrier family 22 member 2 Km 300000.0 nM 10.1089/dna.1997.16.871
Homo sapiens Solute carrier family 22 member 4 Activity nan None None
Homo sapiens Solute carrier family 22 member 5 Activity nan None None
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 71.4 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition -0.5 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 2B1 Inhibition 14.5 % 10.1021/jm300212s
Mus musculus Solute carrier family 22 member 1 Activity 0.0 % None
Mus musculus Solute carrier family 22 member 1 IC50 7337000.0 nM 10.1016/s0006-291x(02)00926-9
Mus musculus Solute carrier family 22 member 2 IC50 13661000.0 nM 10.1016/s0006-291x(02)00926-9
Mus musculus Solute carrier family 22 member 3 Inhibition nan % 10.1152/ajprenal.2000.279.3.f449
Mus musculus Solute carrier family 22 member 5 Activity nan None 10.1124/mol.59.2.358
Rattus norvegicus Rattus norvegicus Activity 6.3 % None
Rattus norvegicus Rattus norvegicus Activity 50.0 % None
Rattus norvegicus Rattus norvegicus Activity 328.0 g None
Rattus norvegicus Rattus norvegicus Activity nan None None
Rattus norvegicus Solute carrier family 22 member 1 Activity nan None 10.1074/jbc.272.26.16548
Rattus norvegicus Solute carrier family 22 member 1 Ki 669200.0 nM None
Rattus norvegicus Solute carrier family 22 member 1 Ki 1000000.0 nM 10.1038/372549a0
Rattus norvegicus Solute carrier family 22 member 1 Km 126000.0 nM 10.1124/mol.56.6.1254
Rattus norvegicus Solute carrier family 22 member 1 Km 340000.0 nM 10.1074/jbc.271.51.32599
Rattus norvegicus Solute carrier family 22 member 2 Activity nan None 10.1152/ajprenal.1999.277.6.f890
Rattus norvegicus Solute carrier family 22 member 2 IC50 1560000.0 nM 10.1016/s0005-2736(99)00005-x
Rattus norvegicus Solute carrier family 22 member 2 Ki 403400.0 nM None
Rattus norvegicus Solute carrier family 22 member 2 Km 245000.0 nM 10.1152/ajprenal.2001.281.3.f454
Rattus norvegicus Solute carrier family 22 member 3 Activity 33.0 % 10.1074/jbc.273.26.15971
None Erythroleukemia cell line Benzidine positive cells 93.0 % 10.1021/jm00141a016
None Erythroleukemia cell line Cell growth 78.0 % 10.1021/jm00141a016
None Erythroleukemia cell line Cell growth 94.0 % 10.1021/jm00141a016
None Erythroleukemia cell line Concentration 4.0 mM 10.1021/jm00141a016
None No relevant target Log Pmic 0.39 None 10.1021/jm960068i

Metabolism Information