N-ethyl-6-methyl-N-[2-(morpholin-4-yl)ethyl]pyridine-2-carboxamide

• ChemBase编号: 856701
• 分子式: C15H23N3O2
• 平均质量: 277.36202
• 单一同位素质量: 277.17902699
• SMILES: C(=O)(c1nc(ccc1)C)N(CCN1CCOCC1)CC
• Canonical SMILES: CCN(C(=O)c1cccc(n1)C)CCN1CCOCC1
• InChI: InChI=1S/C15H23N3O2/c1-3-18(8-7-17-9-11-20-12-10-17)15(19)14-6-4-5-13(2)16-14/h4-6H,3,7-12H2,1-2H3
• InChIKey: FJLQCYLAJFPRLZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-6-methyl-N-[2-(morpholin-4-yl)ethyl]pyridine-2-carboxamide
• IUPAC传统名: N-ethyl-6-methyl-N-[2-(morpholin-4-yl)ethyl]pyridine-2-carboxamide
• 别名: N-ethyl-6-methyl-N-[2-(4-morpholinyl)ethyl]-2-pyridinecarboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.03362988
• LogD (pH = 7.4): 0.7066684
• Log P: 0.7277383
• 摩尔折射率: 78.8346 cm^3
• 极化性: 30.2585 Å^3
• 极化表面积: 45.67 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: 4
• 质子供体: 0
• Log P: 1.16
• LOG S: -0.22
• 极化表面积: 45.67 Å^2
• 可自由旋转的化学键: 4