6-ethyl-N,1,5-trimethyl-2-oxo-N-[1-(pyridin-2-yl)propyl]-1,2-dihydropyridine-3-carboxamide

• ChemBase编号: 592311
• 分子式: C19H25N3O2
• 平均质量: 327.4207
• 单一同位素质量: 327.19467706
• SMILES: c1(c(=O)n(c(c(c1)C)CC)C)C(=O)N(C(c1ncccc1)CC)C
• Canonical SMILES: CCC(N(C(=O)c1cc(C)c(n(c1=O)C)CC)C)c1ccccn1
• InChI: InChI=1S/C19H25N3O2/c1-6-16-13(3)12-14(18(23)21(16)4)19(24)22(5)17(7-2)15-10-8-9-11-20-15/h8-12,17H,6-7H2,1-5H3
• InChIKey: HFIVIXXSOXUHDG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-ethyl-N,1,5-trimethyl-2-oxo-N-[1-(pyridin-2-yl)propyl]-1,2-dihydropyridine-3-carboxamide
• IUPAC传统名: 6-ethyl-N,1,5-trimethyl-2-oxo-N-[1-(pyridin-2-yl)propyl]pyridine-3-carboxamide
• 别名: 6-ethyl-N,1,5-trimethyl-2-oxo-N-(1-pyridin-2-ylpropyl)-1,2-dihydropyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.101423
• LogD (pH = 7.4): 2.115523
• Log P: 2.1157062
• 摩尔折射率: 96.2084 cm^3
• 极化性: 36.412514 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: 1.61
• LOG S: -1.66
• 极化表面积: 55.2 Å^2
• 可自由旋转的化学键: 5