4-acetamido-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-methylbenzamide

• ChemBase ID: 458274
• Molecular Formular: C17H20N4O2
• Molecular Mass: 312.3663
• Monoisotopic Mass: 312.1586259
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1c(cc(NC(=O)C)cc1)C
• Canonical SMILES: CC(=O)Nc1ccc(c(c1)C)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C17H20N4O2/c1-11-9-13(19-12(2)22)6-7-14(11)17(23)20-16-10-18-15-5-3-4-8-21(15)16/h6-7,9-10H,3-5,8H2,1-2H3,(H,19,22)(H,20,23)
• InChIKey: ZUJMKTTZGVFKJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.502479
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.139658
• LogD (pH = 7.4): 1.7767203
• Log P: 1.8053958
• Molar Refractivity: 90.5375 cm^3
• Polarizability: 32.888664 Å^3
• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.57
• LOG S: -2.82
• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 3