6-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide

• ChemBase编号: 408856
• 分子式: C23H25N3O3
• 平均质量: 391.4629
• 单一同位素质量: 391.18959168
• SMILES: N1(c2ncc(C(=O)N(C)C)cc2)CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)c1ccc(cn1)C(=O)N(C)C
• InChI: InChI=1S/C23H25N3O3/c1-25(2)23(27)19-7-9-22(24-14-19)26-10-11-29-21(15-26)18-5-4-17-13-20(28-3)8-6-16(17)12-18/h4-9,12-14,21H,10-11,15H2,1-3H3
• InChIKey: ZJMIDYUYHCGZPZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide
• IUPAC传统名: 6-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide
• 别名: 6-[2-(6-methoxy-2-naphthyl)morpholin-4-yl]-N,N-dimethylnicotinamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 3.0747283
• LogD (pH = 7.4): 3.1525176
• Log P: 3.1536124
• 摩尔折射率: 113.7857 cm^3
• 极化性: 44.023838 Å^3
• 极化表面积: 54.9 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: 4
• 质子供体: 0
• Log P: 2.42
• LOG S: -4.12
• 极化表面积: 54.9 Å^2
• 可自由旋转的化学键: 4