1-methylnicotinamide
AlkaPlorer ID: AK094599
Synonym: '1-Methylnicotinamide', '3-(Aminocarbonyl)-1-methylpyridinium', '1-methylnicotinamide', 'N(1)-Methylnicotinamide', '1-methylnicotinamide cation', 'Trigonellinamide'
IUPAC Name: 1-methylpyridin-1-ium-3-carboxamide
Structure
SMILES: C[N+]1=CC=CC(C(N)=O)=C1
InChI: InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1
InChIKey: LDHMAVIPBRSVRG-UHFFFAOYSA-O
Reference
PubChem CID: 457
CAS: 3106-60-3
SuperNatural Ⅲ: SN0202395
NPASS: NPC323285
COCONUT: CNP0212015
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Homo sapiens | Homo | Hominidae | Primates | Mammalia | Chordata | Metazoa | Eukaryota |
| Saccharomyces cerevisiae | Saccharomyces | Saccharomycetaceae | Saccharomycetales | Saccharomycetes | Ascomycota | Fungi | Eukaryota |
| Mus musculus | Mus | Muridae | Rodentia | Mammalia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 137.162
TPSA？: 46.97
MolLogP？: -0.3900000000000003
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Nicotinamide N-methyltransferase | IC50 | 9000.0 | nM | 10.1039/D1MD00016K |
| Rattus norvegicus | Dopamine transporter | DA release | 0.25 | % | 10.1021/jm00170a029 |
| Rattus norvegicus | Dopamine transporter | DA release | 31.0 | % | 10.1021/jm00170a029 |
| None | Unchecked | IC50 | 9000.0 | nM | 10.1021/acs.jmedchem.7b00389 |