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

• ChemBase ID: 209212
• Molecular Formular: C23H22N2O6
• Molecular Mass: 422.43058
• Monoisotopic Mass: 422.14778643
• SMILES: c12c(=O)n(c(cc1OC(=C(C2c1ccc(cc1)OC)C(=O)OC)N)C)Cc1occc1
• Canonical SMILES: COC(=O)C1=C(N)Oc2c(C1c1ccc(cc1)OC)c(=O)n(c(c2)C)Cc1ccco1
• InChI: InChI=1S/C23H22N2O6/c1-13-11-17-19(22(26)25(13)12-16-5-4-10-30-16)18(14-6-8-15(28-2)9-7-14)20(21(24)31-17)23(27)29-3/h4-11,18H,12,24H2,1-3H3
• InChIKey: YRNXXOLDNAVHDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164265122
• PubChem CID: 3636800

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.0368087
• LogD (pH = 7.4): 2.0380278
• Log P: 2.0380433
• Molar Refractivity: 124.5388 cm^3
• Polarizability: 43.061314 Å^3
• Polar Surface Area: 104.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds