1-ethyl-7-methyl-N-(2-methylpropyl)-4-oxo-N-(pyridin-2-ylmethyl)-1,4-dihydro-1,8-naphthyridine-3-carboxamide

• ChemBase编号: 662352
• 分子式: C22H26N4O2
• 平均质量: 378.46744
• 单一同位素质量: 378.20557609
• SMILES: c1(c(=O)c2c(n(c1)CC)nc(cc2)C)C(=O)N(Cc1ncccc1)CC(C)C
• Canonical SMILES: CCn1cc(C(=O)N(Cc2ccccn2)CC(C)C)c(=O)c2c1nc(C)cc2
• InChI: InChI=1S/C22H26N4O2/c1-5-25-14-19(20(27)18-10-9-16(4)24-21(18)25)22(28)26(12-15(2)3)13-17-8-6-7-11-23-17/h6-11,14-15H,5,12-13H2,1-4H3
• InChIKey: HILCMASQMAGELA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-ethyl-7-methyl-N-(2-methylpropyl)-4-oxo-N-(pyridin-2-ylmethyl)-1,4-dihydro-1,8-naphthyridine-3-carboxamide
• IUPAC传统名: 1-ethyl-7-methyl-N-(2-methylpropyl)-4-oxo-N-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
• 别名: 1-ethyl-N-isobutyl-7-methyl-4-oxo-N-(pyridin-2-ylmethyl)-1,4-dihydro-1,8-naphthyridine-3-carboxamide

理论计算性质

JChem

• LogD (pH = 7.4): 2.7099295
• Log P: 2.7110538
• 摩尔折射率: 110.1178 cm^3
• 极化性: 41.57152 Å^3
• 极化表面积: 66.4 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 2.627441

Provided by Chembridge

• Log P: 0.9
• LOG S: -1.43
• 极化表面积: 68.09 Å^2
• 可自由旋转的化学键: 6
• 质子受体: 4
• 质子供体: 0