N-[2-(dimethylamino)ethyl]-2-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase编号: 695420
• 分子式: C18H26N4O2
• 平均质量: 330.42464
• 单一同位素质量: 330.20557609
• SMILES: c1(cn2c(nc(c2)C)cc1)C(=O)N(CC1OCCC1)CCN(C)C
• Canonical SMILES: CN(CCN(C(=O)c1ccc2n(c1)cc(n2)C)CC1CCCO1)C
• InChI: InChI=1S/C18H26N4O2/c1-14-11-22-12-15(6-7-17(22)19-14)18(23)21(9-8-20(2)3)13-16-5-4-10-24-16/h6-7,11-12,16H,4-5,8-10,13H2,1-3H3
• InChIKey: XXTGLCOKXFWAAT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(dimethylamino)ethyl]-2-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: N-[2-(dimethylamino)ethyl]-2-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
• 别名: N-[2-(dimethylamino)ethyl]-2-methyl-N-(tetrahydrofuran-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -2.8778775
• LogD (pH = 7.4): -0.49329853
• Log P: 0.62614554
• 摩尔折射率: 95.6735 cm^3
• 极化性: 35.95346 Å^3
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 0.24
• LOG S: -3.12
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 6