BMRB

Biological Magnetic Resonance Data Bank


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

N-benzylpyridine-4-carboxamide

N-benzylpyridine-4-carboxamide bmse012338 - Data

N-benzylpyridine-4-carboxamide synonyms

Wikipedia:

Graphical representations:

N-benzylpyridine-4-carboxamide

View large 3D structure

Molecular Formula: C13H12N2O

Natural Isotopic Abundance Mass: 212.24718000000001

Mono-Isotopic Molecular Masses:

  • C12N14: 212.094963014
  • C13N14: 225.13857590800006
  • C12N15: 214.0890328
  • C13N15: 227.13264569400008

InChI string: InChI=1S/C13H12N2O/c16-13(12-6-8-14-9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)

IUPAC: b'N-(phenylmethyl)pyridine-4-carboxamide'

EU-OPENSCREEN: EOS103084

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)