2-ethoxy-N-(furan-2-ylmethyl)-N-[2-(morpholin-4-yl)ethyl]pyridine-3-carboxamide

• ChemBase编号: 707573
• 分子式: C19H25N3O4
• 平均质量: 359.4195
• 单一同位素质量: 359.1845063
• SMILES: C(=O)(c1c(nccc1)OCC)N(Cc1occc1)CCN1CCOCC1
• Canonical SMILES: CCOc1ncccc1C(=O)N(Cc1ccco1)CCN1CCOCC1
• InChI: InChI=1S/C19H25N3O4/c1-2-25-18-17(6-3-7-20-18)19(23)22(15-16-5-4-12-26-16)9-8-21-10-13-24-14-11-21/h3-7,12H,2,8-11,13-15H2,1H3
• InChIKey: SEQCVWUMVBIARQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-ethoxy-N-(furan-2-ylmethyl)-N-[2-(morpholin-4-yl)ethyl]pyridine-3-carboxamide
• IUPAC传统名: 2-ethoxy-N-(furan-2-ylmethyl)-N-[2-(morpholin-4-yl)ethyl]pyridine-3-carboxamide
• 别名: 2-ethoxy-N-(2-furylmethyl)-N-(2-morpholin-4-ylethyl)nicotinamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 1.0749713
• LogD (pH = 7.4): 1.425104
• Log P: 1.4320239
• 摩尔折射率: 98.3953 cm^3
• 极化性: 37.495007 Å^3
• 极化表面积: 68.04 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 6
• 质子供体: 0
• Log P: 2.66
• LOG S: -4.09
• 极化表面积: 68.04 Å^2
• 可自由旋转的化学键: 8