N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 325055
• 分子式: C19H22N4O2
• 平均质量: 338.40358
• 单一同位素质量: 338.17427596
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N(Cc1c(c(c(cn1)C)OC)C)C
• Canonical SMILES: COc1c(C)cnc(c1C)CN(C(=O)c1nc2n(c1)cc(cc2)C)C
• InChI: InChI=1S/C19H22N4O2/c1-12-6-7-17-21-16(11-23(17)9-12)19(24)22(4)10-15-14(3)18(25-5)13(2)8-20-15/h6-9,11H,10H2,1-5H3
• InChIKey: JASUQFJWTWPCNM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• Log P: 2.4142578
• 摩尔折射率: 97.9565 cm^3
• 极化性: 36.317093 Å^3
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.4547923
• LogD (pH = 7.4): 2.3572698

Provided by Chembridge

• Log P: 1.92
• LOG S: -3.31
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 4
• 质子受体: 4
• 质子供体: 0