N,2-dimethyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]-1,8-naphthyridine-3-carboxamide

• ChemBase编号: 727934
• 分子式: C20H22N4O
• 平均质量: 334.41488
• 单一同位素质量: 334.17936134
• SMILES: c1(C(=O)N(C(Cc2nccc(c2)C)C)C)c(nc2c(c1)cccn2)C
• Canonical SMILES: Cc1ccnc(c1)CC(N(C(=O)c1cc2cccnc2nc1C)C)C
• InChI: InChI=1S/C20H22N4O/c1-13-7-9-21-17(10-13)11-14(2)24(4)20(25)18-12-16-6-5-8-22-19(16)23-15(18)3/h5-10,12,14H,11H2,1-4H3
• InChIKey: DPHAPNBMDSCCFY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,2-dimethyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]-1,8-naphthyridine-3-carboxamide
• IUPAC传统名: N,2-dimethyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]-1,8-naphthyridine-3-carboxamide
• 别名: N,2-dimethyl-N-[1-methyl-2-(4-methylpyridin-2-yl)ethyl]-1,8-naphthyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.2256136
• LogD (pH = 7.4): 2.4196784
• Log P: 2.4228768
• 摩尔折射率: 98.9514 cm^3
• 极化性: 37.80391 Å^3
• 极化表面积: 58.98 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.68
• LOG S: -1.77
• 极化表面积: 58.98 Å^2
• 可自由旋转的化学键: 4