N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N,2,7-trimethylimidazo[1,2-a]pyridine-3-carboxamide

• ChemBase编号: 745126
• 分子式: C19H22N4O2
• 平均质量: 338.40358
• 单一同位素质量: 338.17427596
• SMILES: c1(n2c(nc1C)cc(cc2)C)C(=O)N(C(c1ncccc1)COC)C
• Canonical SMILES: COCC(N(C(=O)c1c(C)nc2n1ccc(c2)C)C)c1ccccn1
• InChI: InChI=1S/C19H22N4O2/c1-13-8-10-23-17(11-13)21-14(2)18(23)19(24)22(3)16(12-25-4)15-7-5-6-9-20-15/h5-11,16H,12H2,1-4H3
• InChIKey: WIFYUAQUEBYFKZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N,2,7-trimethylimidazo[1,2-a]pyridine-3-carboxamide
• IUPAC传统名: N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N,2,7-trimethylimidazo[1,2-a]pyridine-3-carboxamide
• 别名: N-(2-methoxy-1-pyridin-2-ylethyl)-N,2,7-trimethylimidazo[1,2-a]pyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.2931855
• LogD (pH = 7.4): 1.3744692
• Log P: 1.3755879
• 摩尔折射率: 97.0407 cm^3
• 极化性: 36.409374 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

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.59
• LOG S: -1.73
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 5