N-(6-methylpyridin-3-yl)benzamide

• ChemBase ID: 248553
• Molecular Formular: C13H12N2O
• Molecular Mass: 212.24718
• Monoisotopic Mass: 212.09496301
• SMILES: C(=O)(Nc1cnc(cc1)C)c1ccccc1
• Canonical SMILES: Cc1ccc(cn1)NC(=O)c1ccccc1
• InChI: InChI=1S/C13H12N2O/c1-10-7-8-12(9-14-10)15-13(16)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)
• InChIKey: GWNPFHPYBCTUMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methylpyridin-3-yl)benzamide
• IUPAC Traditional name: N-(6-methylpyridin-3-yl)benzamide
• Synonyms: N-(6-methylpyridin-3-yl)benzamide

Database IDs

• PubChem SID: 164304463
• PubChem CID: 20726955

CALCULATED PROPERTIES

• Acid pKa: 11.461285
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.867081
• LogD (pH = 7.4): 1.9768609
• Log P: 1.9788283
• Molar Refractivity: 64.0261 cm^3
• Polarizability: 23.804987 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.48

Product Information

• Purity: 95%