N'-cyclopentyl-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}butanediamide

• ChemBase编号: 358912
• 分子式: C16H24N4O2
• 平均质量: 304.38736
• 单一同位素质量: 304.18992603
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)CCC(=O)NC1CCCC1
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)CCC(=O)NC1CCCC1
• InChI: InChI=1S/C16H24N4O2/c21-15(18-12-5-1-2-6-12)8-9-16(22)19-14-11-17-13-7-3-4-10-20(13)14/h11-12H,1-10H2,(H,18,21)(H,19,22)
• InChIKey: IQHLAHLHOWPQFW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N'-cyclopentyl-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}butanediamide
• IUPAC传统名: N'-cyclopentyl-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}succinamide
• 别名: N-cyclopentyl-N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)succinamide

理论计算性质

JChem

• Acid pKa: 13.809353
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 0.115005545
• LogD (pH = 7.4): 0.76573443
• Log P: 0.7963877
• 摩尔折射率: 83.9882 cm^3
• 极化性: 31.902822 Å^3
• 极化表面积: 76.02 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 2
• Log P: 0.81
• LOG S: -2.11
• 极化表面积: 76.02 Å^2
• 可自由旋转的化学键: 5