2-amino-N-(pyridin-4-yl)benzamide

• ChemBase ID: 258019
• Molecular Formular: C12H11N3O
• Molecular Mass: 213.23524
• Monoisotopic Mass: 213.09021199
• SMILES: C(=O)(c1c(N)cccc1)Nc1ccncc1
• Canonical SMILES: O=C(c1ccccc1N)Nc1ccncc1
• InChI: InChI=1S/C12H11N3O/c13-11-4-2-1-3-10(11)12(16)15-9-5-7-14-8-6-9/h1-8H,13H2,(H,14,15,16)
• InChIKey: ARCHKMRCNMSPDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(pyridin-4-yl)benzamide
• IUPAC Traditional name: 2-amino-N-(pyridin-4-yl)benzamide
• Synonyms: 2-amino-N-pyridin-4-ylbenzamide

Database IDs

• MDL Number: MFCD03015407
• PubChem SID: 164313929
• PubChem CID: 5080262

CALCULATED PROPERTIES

• Acid pKa: 10.913373
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3610239
• LogD (pH = 7.4): 1.6618341
• Log P: 1.6685323
• Molar Refractivity: 64.135 cm^3
• Polarizability: 23.175854 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): 1.674

Product Information

• Purity: 95%