N-cyclopentyl-1-ethyl-7-methyl-4-oxo-N-propyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide

• ChemBase编号: 708206
• 分子式: C20H27N3O2
• 平均质量: 341.44728
• 单一同位素质量: 341.21032712
• SMILES: c1(C(=O)N(C2CCCC2)CCC)c(=O)c2c(n(c1)CC)nc(cc2)C
• Canonical SMILES: CCCN(C(=O)c1cn(CC)c2c(c1=O)ccc(n2)C)C1CCCC1
• InChI: InChI=1S/C20H27N3O2/c1-4-12-23(15-8-6-7-9-15)20(25)17-13-22(5-2)19-16(18(17)24)11-10-14(3)21-19/h10-11,13,15H,4-9,12H2,1-3H3
• InChIKey: GAMFCXLYZGPNTR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopentyl-1-ethyl-7-methyl-4-oxo-N-propyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide
• IUPAC传统名: N-cyclopentyl-1-ethyl-7-methyl-4-oxo-N-propyl-1,8-naphthyridine-3-carboxamide
• 别名: N-cyclopentyl-1-ethyl-7-methyl-4-oxo-N-propyl-1,4-dihydro-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): 3.0465698
• LogD (pH = 7.4): 3.1116133
• Log P: 3.1125104
• 摩尔折射率: 100.1259 cm^3
• 极化性: 37.674644 Å^3
• 极化表面积: 53.51 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: 3
• 质子供体: 0
• Log P: 2.95
• LOG S: -4.21
• 极化表面积: 55.2 Å^2
• 可自由旋转的化学键: 5