N-[2-(dimethylamino)ethyl]-N-ethyl-4-(morpholin-4-yl)pyridine-2-carboxamide

• ChemBase编号: 721008
• 分子式: C16H26N4O2
• 平均质量: 306.40324
• 单一同位素质量: 306.20557609
• SMILES: C(=O)(c1cc(N2CCOCC2)ccn1)N(CCN(C)C)CC
• Canonical SMILES: CCN(C(=O)c1nccc(c1)N1CCOCC1)CCN(C)C
• InChI: InChI=1S/C16H26N4O2/c1-4-19(8-7-18(2)3)16(21)15-13-14(5-6-17-15)20-9-11-22-12-10-20/h5-6,13H,4,7-12H2,1-3H3
• InChIKey: FGCFKJJWOPYKFY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(dimethylamino)ethyl]-N-ethyl-4-(morpholin-4-yl)pyridine-2-carboxamide
• IUPAC传统名: N-[2-(dimethylamino)ethyl]-N-ethyl-4-(morpholin-4-yl)pyridine-2-carboxamide
• 别名: N-[2-(dimethylamino)ethyl]-N-ethyl-4-(4-morpholinyl)-2-pyridinecarboxamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -2.2037034
• LogD (pH = 7.4): -0.39521155
• Log P: 0.70441204
• 摩尔折射率: 88.6717 cm^3
• 极化性: 33.314335 Å^3
• 极化表面积: 48.91 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: -0.02
• LOG S: -2.73
• 极化表面积: 48.91 Å^2
• 可自由旋转的化学键: 6