methyl 2-amino-6-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4H,5H,6H-pyrano[3,2-c]pyridine-3-carboxylate

• ChemBase ID: 193766
• Molecular Formular: C30H34N2O9
• Molecular Mass: 566.59896
• Monoisotopic Mass: 566.22643068
• SMILES: c12c(=O)n(c(cc1OC(=C(C2c1cc(c(c(c1)OC)OC)OC)C(=O)OC)N)C)CCc1cc(c(cc1)OC)OC
• Canonical SMILES: COC(=O)C1=C(N)Oc2c(C1c1cc(OC)c(c(c1)OC)OC)c(=O)n(c(c2)C)CCc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C30H34N2O9/c1-16-12-21-25(29(33)32(16)11-10-17-8-9-19(35-2)20(13-17)36-3)24(26(28(31)41-21)30(34)40-7)18-14-22(37-4)27(39-6)23(15-18)38-5/h8-9,12-15,24H,10-11,31H2,1-7H3
• InChIKey: OIMUJIIKDJVCFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-6-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4H,5H,6H-pyrano[3,2-c]pyridine-3-carboxylate
• IUPAC Traditional name: methyl 2-amino-6-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate

Database IDs

• PubChem SID: 164249676
• PubChem CID: 3756582

CALCULATED PROPERTIES

• H Acceptors: 9
• H Donor: 1
• LogD (pH = 5.5): 2.6345382
• LogD (pH = 7.4): 2.6357572
• Log P: 2.6357727
• Molar Refractivity: 162.7557 cm^3
• Polarizability: 58.133606 Å^3
• Polar Surface Area: 128.01 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds