N,1,4,6-tetramethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase编号: 767356
• 分子式: C18H29N3O2
• 平均质量: 319.44176
• 单一同位素质量: 319.22597718
• SMILES: c1(c(=O)n(c(cc1C)C)C)C(=O)N(CCN1C(C)CCCC1)C
• Canonical SMILES: CC1CCCCN1CCN(C(=O)c1c(C)cc(n(c1=O)C)C)C
• InChI: InChI=1S/C18H29N3O2/c1-13-12-15(3)20(5)18(23)16(13)17(22)19(4)10-11-21-9-7-6-8-14(21)2/h12,14H,6-11H2,1-5H3
• InChIKey: TUVJORMDLKWMBD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,1,4,6-tetramethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC传统名: N,1,4,6-tetramethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-oxopyridine-3-carboxamide
• 别名: N,1,4,6-tetramethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-oxo-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): -1.9134941
• LogD (pH = 7.4): -0.2529989
• Log P: 1.1992103
• 摩尔折射率: 95.3129 cm^3
• 极化性: 35.884163 Å^3
• 极化表面积: 43.86 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: 3
• 质子供体: 0
• Log P: 1.77
• LOG S: -3.04
• 极化表面积: 45.55 Å^2
• 可自由旋转的化学键: 4