methyl 2-amino-4-(3-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H,5H,6H-pyrano[3,2-c]pyridine-3-carboxylate

• ChemBase编号: 194927
• 分子式: C24H23N3O5
• 平均质量: 433.45652
• 单一同位素质量: 433.16377085
• SMILES: c12c(=O)n(c(cc1OC(=C(C2c1cc(OC)ccc1)C(=O)OC)N)C)Cc1cnccc1
• Canonical SMILES: COC(=O)C1=C(N)Oc2c(C1c1cccc(c1)OC)c(=O)n(c(c2)C)Cc1cccnc1
• InChI: InChI=1S/C24H23N3O5/c1-14-10-18-20(23(28)27(14)13-15-6-5-9-26-12-15)19(16-7-4-8-17(11-16)30-2)21(22(25)32-18)24(29)31-3/h4-12,19H,13,25H2,1-3H3
• InChIKey: OIKLFGVPHUHKLX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2-amino-4-(3-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H,5H,6H-pyrano[3,2-c]pyridine-3-carboxylate
• IUPAC传统名: methyl 2-amino-4-(3-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate

登记号

• PubChem SID: 164250837
• PubChem CID: 4221207

理论计算性质

• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 1.6870193
• LogD (pH = 7.4): 1.7591052
• Log P: 1.7601242
• 摩尔折射率: 129.991 cm^3
• 极化性: 45.272015 Å^3
• 极化表面积: 103.98 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds