N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,8-dimethylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 865967
• 分子式: C17H24N4O
• 平均质量: 300.39866
• 单一同位素质量: 300.19501141
• SMILES: c1(nc2n(c1)cccc2C)C(=O)N(CC1(CN(CC1)C)C)C
• Canonical SMILES: CN1CCC(C1)(C)CN(C(=O)c1cn2c(n1)c(C)ccc2)C
• InChI: InChI=1S/C17H24N4O/c1-13-6-5-8-21-10-14(18-15(13)21)16(22)20(4)12-17(2)7-9-19(3)11-17/h5-6,8,10H,7,9,11-12H2,1-4H3
• InChIKey: NLMNYNOACWVWNQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,8-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,8-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,8-dimethylimidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -1.5595169
• LogD (pH = 7.4): 0.121508524
• Log P: 1.53356
• 摩尔折射率: 89.3896 cm^3
• 极化性: 33.419838 Å^3
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.41
• LOG S: -2.6
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 3