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

• ChemBase ID: 210703
• Molecular Formular: C22H20N2O5
• Molecular Mass: 392.4046
• Monoisotopic Mass: 392.13722175
• SMILES: c12c(=O)n(c(cc1OC(=C(C2c1ccccc1)C(=O)OC)N)C)Cc1occc1
• Canonical SMILES: COC(=O)C1=C(N)Oc2c(C1c1ccccc1)c(=O)n(c(c2)C)Cc1ccco1
• InChI: InChI=1S/C22H20N2O5/c1-13-11-16-18(21(25)24(13)12-15-9-6-10-28-15)17(14-7-4-3-5-8-14)19(20(23)29-16)22(26)27-2/h3-11,17H,12,23H2,1-2H3
• InChIKey: JHCDQCUYZYDOGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164266613
• PubChem CID: 4545179

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.19448
• LogD (pH = 7.4): 2.195699
• Log P: 2.1957145
• Molar Refractivity: 118.0756 cm^3
• Polarizability: 40.52482 Å^3
• Polar Surface Area: 95.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds