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

• ChemBase ID: 208681
• Molecular Formular: C19H20N2O5
• Molecular Mass: 356.3725
• Monoisotopic Mass: 356.13722175
• SMILES: c12c(=O)n(c(cc1OC(=C(C2c1c(OC)cccc1)C(=O)OC)N)C)C
• Canonical SMILES: COC(=O)C1=C(N)Oc2c(C1c1ccccc1OC)c(=O)n(c(c2)C)C
• InChI: InChI=1S/C19H20N2O5/c1-10-9-13-15(18(22)21(10)2)14(11-7-5-6-8-12(11)24-3)16(17(20)26-13)19(23)25-4/h5-9,14H,20H2,1-4H3
• InChIKey: HYXVJGACAQWMLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164264591
• PubChem CID: 5172147

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.2520918
• LogD (pH = 7.4): 1.253308
• Log P: 1.2533236
• Molar Refractivity: 107.5353 cm^3
• Polarizability: 36.594543 Å^3
• Polar Surface Area: 91.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds