N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 569725
• 分子式: C17H18N4O2
• 平均质量: 310.35042
• 单一同位素质量: 310.14297584
• SMILES: c1(nc2n(c1)cccc2)C(=O)N(C(c1ncccc1)COC)C
• Canonical SMILES: COCC(N(C(=O)c1nc2n(c1)cccc2)C)c1ccccn1
• InChI: InChI=1S/C17H18N4O2/c1-20(15(12-23-2)13-7-3-5-9-18-13)17(22)14-11-21-10-6-4-8-16(21)19-14/h3-11,15H,12H2,1-2H3
• InChIKey: CFCUIXRNKCGYPQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylimidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

Provided by Chembridge

• LOG S: -0.5
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 5
• 质子受体: 4
• 质子供体: 0
• Log P: 0.39

JChem

• 摩尔折射率: 87.1585 cm^3
• 极化性: 32.883816 Å^3
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.179825
• LogD (pH = 7.4): 1.1964312
• Log P: 1.1966455