N-(5-aminopyridin-2-yl)benzamide

• ChemBase ID: 279473
• Molecular Formular: C12H11N3O
• Molecular Mass: 213.23524
• Monoisotopic Mass: 213.09021199
• SMILES: C(=O)(Nc1ncc(N)cc1)c1ccccc1
• Canonical SMILES: Nc1ccc(nc1)NC(=O)c1ccccc1
• InChI: InChI=1S/C12H11N3O/c13-10-6-7-11(14-8-10)15-12(16)9-4-2-1-3-5-9/h1-8H,13H2,(H,14,15,16)
• InChIKey: PMCJOARICUKEBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-aminopyridin-2-yl)benzamide
• IUPAC Traditional name: N-(5-aminopyridin-2-yl)benzamide
• Synonyms: N-(5-aminopyridin-2-yl)benzamide

Database IDs

• MDL Number: MFCD08898857
• PubChem SID: 164335383
• PubChem CID: 18524229

CALCULATED PROPERTIES

• Acid pKa: 10.974216
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.6112614
• LogD (pH = 7.4): 1.6128558
• Log P: 1.6129898
• Molar Refractivity: 64.4485 cm^3
• Polarizability: 23.178274 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): 1.654

Product Information

• Purity: 95%