N-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 631779
• 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)NCc1c(nc(cc1C)C)OC
• Canonical SMILES: COc1nc(C)cc(c1CNC(=O)c1nc2n(c1)cc(cc2)C)C
• InChI: InChI=1S/C18H20N4O2/c1-11-5-6-16-21-15(10-22(16)9-11)17(23)19-8-14-12(2)7-13(3)20-18(14)24-4/h5-7,9-10H,8H2,1-4H3,(H,19,23)
• InChIKey: OFTNDWNHSDEDID-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 摩尔折射率: 93.4458 cm^3
• 极化性: 34.480724 Å^3
• 极化表面积: 68.52 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true
• Acid pKa: 13.643609
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.2859278
• LogD (pH = 7.4): 2.321056
• Log P: 2.321516

Provided by Chembridge

• 极化表面积: 68.52 Å^2
• 可自由旋转的化学键: 4
• 质子受体: 4
• 质子供体: 1
• Log P: 2.98
• LOG S: -4.11