N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-[(2-methylpropanamido)methyl]benzamide

• ChemBase ID: 452474
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1ccc(CNC(=O)C(C)C)cc1
• Canonical SMILES: O=C(C(C)C)NCc1ccc(cc1)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C19H24N4O2/c1-13(2)18(24)21-11-14-6-8-15(9-7-14)19(25)22-17-12-20-16-5-3-4-10-23(16)17/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,21,24)(H,22,25)
• InChIKey: DAOZQRASKGKRTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-[(2-methylpropanamido)methyl]benzamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-[(2-methylpropanamido)methyl]benzamide
• Synonyms: 4-[(isobutyrylamino)methyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.910754
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.576536
• LogD (pH = 7.4): 2.2137103
• Log P: 2.2424011
• Molar Refractivity: 97.7519 cm^3
• Polarizability: 36.647903 Å^3
• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.21
• LOG S: -2.72
• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 5