2-amino-N-(pyridin-2-ylmethyl)benzamide

• ChemBase ID: 312561
• Molecular Formular: C13H13N3O
• Molecular Mass: 227.26182
• Monoisotopic Mass: 227.10586205
• SMILES: c1(C(=O)NCc2ncccc2)c(N)cccc1
• Canonical SMILES: O=C(c1ccccc1N)NCc1ccccn1
• InChI: InChI=1S/C13H13N3O/c14-12-7-2-1-6-11(12)13(17)16-9-10-5-3-4-8-15-10/h1-8H,9,14H2,(H,16,17)
• InChIKey: RSFYALXYWGNJJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(pyridin-2-ylmethyl)benzamide
• IUPAC Traditional name: 2-amino-N-(pyridin-2-ylmethyl)benzamide
• Synonyms: 2-amino-N-(2-pyridinylmethyl)benzamide

Database IDs

• CAS Number: 57786-49-9
• MDL Number: MFCD00278432

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4382432
• LogD (pH = 7.4): 1.4566687
• Log P: 1.4569088
• Molar Refractivity: 66.667 cm^3
• Polarizability: 24.833767 Å^3
• Polar Surface Area: 68.01 Å^2