N-(2-methoxyethyl)-6-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 641869
• 分子式: C18H20N4O2
• 平均质量: 324.377
• 单一同位素质量: 324.1586259
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N(Cc1ccncc1)CCOC
• Canonical SMILES: COCCN(C(=O)c1cn2c(n1)ccc(c2)C)Cc1ccncc1
• InChI: InChI=1S/C18H20N4O2/c1-14-3-4-17-20-16(13-22(17)11-14)18(23)21(9-10-24-2)12-15-5-7-19-8-6-15/h3-8,11,13H,9-10,12H2,1-2H3
• InChIKey: BXHQCQHRLMVLII-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-methoxyethyl)-6-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-(2-methoxyethyl)-6-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-(2-methoxyethyl)-6-methyl-N-(4-pyridinylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.29815
• LogD (pH = 7.4): 1.4149061
• Log P: 1.4166387
• 摩尔折射率: 92.9766 cm^3
• 极化性: 34.644367 Å^3
• 极化表面积: 59.73 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: 0.75
• LOG S: -0.91
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 6