3-Pyridinecarboxamide; 1-Oxide
AlkaPlorer ID: AK311878
Synonym: None
IUPAC Name: 1-oxidopyridin-1-ium-3-carboxamide
Structure
SMILES: N=C(O)C1=C[N+]([O-])=CC=C1
InChI: InChI=1S/C6H6N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-4H,(H2,7,9)
InChIKey: USSFUVKEHXDAPM-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 138.12599999999998
TPSA？: 71.02
MolLogP？: 0.20337
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Mitochondrial amidoxime-reducing component 1 | Activity | 209.9 | nmol/mg.min | 10.1021/acs.jmedchem.9b01483 |
| Homo sapiens | Mitochondrial amidoxime-reducing component 1 | Activity | 239.3 | nmol/mg.min | 10.1021/acs.jmedchem.9b01483 |
| Homo sapiens | Mitochondrial amidoxime reducing component 2 | Activity | nan | None | 10.1021/acs.jmedchem.9b01483 |