Molecule ID: 457

IUPAC Name: 1-methylpyridin-1-ium-3-carboxamide

Description: The molecule is a pyridinium ion comprising nicotinamide having a methyl group at the 1-position. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It derives from a nicotinamide.

SMILES: C[n+]1cccc(C(=N)O)c1

SELFIES: [C][N+1][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=N][O][=C][Ring1][=Branch2]

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

Molecular Properties:
- Polar Surface Area: 47.0 Ų
- LogP: -0.1