N-[3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propyl]-2-(morpholin-3-yl)acetamide

• ChemBase编号: 788300
• 分子式: C15H23N3O3
• 平均质量: 293.36142
• 单一同位素质量: 293.17394161
• SMILES: n1(c(=O)cccc1C)CCCNC(=O)CC1NCCOC1
• Canonical SMILES: O=C(CC1COCCN1)NCCCn1c(C)cccc1=O
• InChI: InChI=1S/C15H23N3O3/c1-12-4-2-5-15(20)18(12)8-3-6-17-14(19)10-13-11-21-9-7-16-13/h2,4-5,13,16H,3,6-11H2,1H3,(H,17,19)
• InChIKey: WUSZICXCPUPFBK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propyl]-2-(morpholin-3-yl)acetamide
• IUPAC传统名: N-[3-(2-methyl-6-oxopyridin-1-yl)propyl]-2-(morpholin-3-yl)acetamide
• 别名: N-[3-(6-methyl-2-oxo-1(2H)-pyridinyl)propyl]-2-(3-morpholinyl)acetamide

理论计算性质

JChem

• Acid pKa: 15.834901
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -3.1777775
• LogD (pH = 7.4): -1.4612099
• Log P: -0.88883686
• 摩尔折射率: 82.5985 cm^3
• 极化性: 31.071167 Å^3
• 极化表面积: 70.67 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: 2
• Log P: -1.48
• LOG S: -1.39
• 极化表面积: 72.36 Å^2
• 可自由旋转的化学键: 6