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

• ChemBase ID: 709734
• Molecular Formular: C17H20N4O3
• Molecular Mass: 328.3657
• Monoisotopic Mass: 328.15354052
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1ccc(NC(=O)COC)cc1
• Canonical SMILES: COCC(=O)Nc1ccc(cc1)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C17H20N4O3/c1-24-11-16(22)19-13-7-5-12(6-8-13)17(23)20-15-10-18-14-4-2-3-9-21(14)15/h5-8,10H,2-4,9,11H2,1H3,(H,19,22)(H,20,23)
• InChIKey: SINIZZZZKCFHSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.436557
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.45197335
• LogD (pH = 7.4): 1.0891556
• Log P: 1.1178528
• Molar Refractivity: 91.9497 cm^3
• Polarizability: 33.67939 Å^3
• Polar Surface Area: 85.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.95
• LOG S: -2.41
• Polar Surface Area: 85.25 Å^2
• Rotatable Bonds: 5