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

• ChemBase ID: 208978
• Molecular Formular: C19H20N2O6
• Molecular Mass: 372.3719
• Monoisotopic Mass: 372.13213637
• SMILES: c12C(C(=C(Oc1cc([nH]c2=O)C)N)C(=O)OC)c1c(c(OC)ccc1)OC
• Canonical SMILES: COC(=O)C1=C(N)Oc2c(C1c1cccc(c1OC)OC)c(=O)[nH]c(c2)C
• InChI: InChI=1S/C19H20N2O6/c1-9-8-12-14(18(22)21-9)13(15(17(20)27-12)19(23)26-4)10-6-5-7-11(24-2)16(10)25-3/h5-8,13H,20H2,1-4H3,(H,21,22)
• InChIKey: UEIYZJVRZWSAFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164264888
• PubChem CID: 4325951

CALCULATED PROPERTIES

• Acid pKa: 11.057121
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.8707433
• LogD (pH = 7.4): 0.87187594
• Log P: 0.8719762
• Molar Refractivity: 109.1018 cm^3
• Polarizability: 37.304024 Å^3
• Polar Surface Area: 109.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds