methyl 2-amino-6-(2H-1,3-benzodioxol-5-ylmethyl)-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H,5H,6H-pyrano[3,2-c]pyridine-3-carboxylate

• ChemBase ID: 210522
• Molecular Formular: C26H24N2O7
• Molecular Mass: 476.47796
• Monoisotopic Mass: 476.15835112
• SMILES: c12c(=O)n(c(cc1OC(=C(C2c1cc(OC)ccc1)C(=O)OC)N)C)Cc1cc2c(OCO2)cc1
• Canonical SMILES: COc1cccc(c1)C1C(=C(N)Oc2c1c(=O)n(c(c2)C)Cc1ccc2c(c1)OCO2)C(=O)OC
• InChI: InChI=1S/C26H24N2O7/c1-14-9-20-22(25(29)28(14)12-15-7-8-18-19(10-15)34-13-33-18)21(16-5-4-6-17(11-16)31-2)23(24(27)35-20)26(30)32-3/h4-11,21H,12-13,27H2,1-3H3
• InChIKey: ZCVHNWZVIVWCHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-6-(2H-1,3-benzodioxol-5-ylmethyl)-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H,5H,6H-pyrano[3,2-c]pyridine-3-carboxylate
• IUPAC Traditional name: methyl 2-amino-6-(2H-1,3-benzodioxol-5-ylmethyl)-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate

Database IDs

• PubChem SID: 164266432
• PubChem CID: 5189484

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 2.5997956
• LogD (pH = 7.4): 2.6010146
• Log P: 2.60103
• Molar Refractivity: 137.9148 cm^3
• Polarizability: 48.660667 Å^3
• Polar Surface Area: 109.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds