N-ethyl-N-methyl-2-(1-{[3-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}cyclopentyl)acetamide

• ChemBase编号: 759671
• 分子式: C21H32N4O
• 平均质量: 356.50498
• 单一同位素质量: 356.25761166
• SMILES: n1(c(nc2c1nccc2)CC1(CC(=O)N(CC)C)CCCC1)CC(C)C
• Canonical SMILES: CCN(C(=O)CC1(CCCC1)Cc1nc2c(n1CC(C)C)nccc2)C
• InChI: InChI=1S/C21H32N4O/c1-5-24(4)19(26)14-21(10-6-7-11-21)13-18-23-17-9-8-12-22-20(17)25(18)15-16(2)3/h8-9,12,16H,5-7,10-11,13-15H2,1-4H3
• InChIKey: RNTZVDIOXIWJOB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-N-methyl-2-(1-{[3-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}cyclopentyl)acetamide
• IUPAC传统名: N-ethyl-N-methyl-2-(1-{[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl}cyclopentyl)acetamide
• 别名: N-ethyl-2-{1-[(3-isobutyl-3H-imidazo[4,5-b]pyridin-2-yl)methyl]cyclopentyl}-N-methylacetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.2792313
• LogD (pH = 7.4): 3.2794611
• Log P: 3.2794642
• 摩尔折射率: 104.1278 cm^3
• 极化性: 41.117912 Å^3
• 极化表面积: 51.02 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.4
• LOG S: -5.73
• 极化表面积: 51.02 Å^2
• 可自由旋转的化学键: 7