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

• ChemBase ID: 194856
• Molecular Formular: C25H25N3O6
• Molecular Mass: 463.4825
• Monoisotopic Mass: 463.17433554
• SMILES: c12c(=O)n(c(cc1OC(=C(C2c1cc(c(cc1)OC)OC)C(=O)OC)N)C)Cc1cnccc1
• Canonical SMILES: COC(=O)C1=C(N)Oc2c(C1c1ccc(c(c1)OC)OC)c(=O)n(c(c2)C)Cc1cccnc1
• InChI: InChI=1S/C25H25N3O6/c1-14-10-19-21(24(29)28(14)13-15-6-5-9-27-12-15)20(22(23(26)34-19)25(30)33-4)16-7-8-17(31-2)18(11-16)32-3/h5-12,20H,13,26H2,1-4H3
• InChIKey: VGYGJYAOVJTNRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250766
• PubChem CID: 3238697

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 1.5293481
• LogD (pH = 7.4): 1.601434
• Log P: 1.602453
• Molar Refractivity: 136.4542 cm^3
• Polarizability: 47.80747 Å^3
• Polar Surface Area: 113.21 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds