BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

1-methylnicotinamide

Graphical representations:

1-methylnicotinamide image

Molecular Formula: C7 H9 N2 O +

Natural Isotopic Abundance Mass: 137.15916

Mono-Isotopic Molecular Masses:

  • C12N14: 137.0714879214
  • C13N14: 144.094971786
  • C12N15: 139.0655577078
  • C13N15: 146.0890415724

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

canonical and isomeric SMILES: C[N+]1=CC=CC(=C1)C(=O)N

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
1-methylpyridin-1-ium-3-carboxamide

PUBCHEM iupac CAS NAME
1-methyl-3-pyridin-1-iumcarboxamide

PubChem Substance (SID):   111677778   2394   954035
PubChem Compound (CID):   457
KEGG: Compound ID   C02918
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   ChEBI CHEBI:16797   ChemSpider 19462240   ZINC ZINC00155368   BioCyc CPD-396   ChEMBL CHEMBL71733

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.