6-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N,N-dimethylpyridine-2-carboxamide

• ChemBase编号: 786338
• 分子式: C19H28N4O3
• 平均质量: 360.45062
• 单一同位素质量: 360.21614078
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(c2nc(C(=O)N(C)C)ccc2)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)c1cccc(n1)C(=O)N(C)C
• InChI: InChI=1S/C19H28N4O3/c1-21(2)17(24)15-6-4-7-16(20-15)23-11-9-19(14-23)8-5-10-22(18(19)25)12-13-26-3/h4,6-7H,5,8-14H2,1-3H3
• InChIKey: XLSVSGMRCYPASR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N,N-dimethylpyridine-2-carboxamide
• IUPAC传统名: 6-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N,N-dimethylpyridine-2-carboxamide
• 别名: 6-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]dec-2-yl]-N,N-dimethylpyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 1.0464913
• LogD (pH = 7.4): 1.0468465
• Log P: 1.046851
• 摩尔折射率: 100.7994 cm^3
• 极化性: 37.823025 Å^3
• 极化表面积: 65.98 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: -0.22
• LOG S: -2.95
• 极化表面积: 65.98 Å^2
• 可自由旋转的化学键: 5