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

• ChemBase ID: 208680
• Molecular Formular: C18H18N2O4
• Molecular Mass: 326.34652
• Monoisotopic Mass: 326.12665707
• SMILES: c12c(=O)n(c(cc1OC(=C(C2c1ccccc1)C(=O)OC)N)C)C
• Canonical SMILES: COC(=O)C1=C(N)Oc2c(C1c1ccccc1)c(=O)n(c(c2)C)C
• InChI: InChI=1S/C18H18N2O4/c1-10-9-12-14(17(21)20(10)2)13(11-7-5-4-6-8-11)15(16(19)24-12)18(22)23-3/h4-9,13H,19H2,1-3H3
• InChIKey: COWBQAPHSZVTBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164264590
• PubChem CID: 5039501

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4097602
• LogD (pH = 7.4): 1.4109793
• Log P: 1.4109948
• Molar Refractivity: 101.0721 cm^3
• Polarizability: 34.059315 Å^3
• Polar Surface Area: 81.86 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds