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

• ChemBase ID: 194819
• Molecular Formular: C24H23N3O5
• Molecular Mass: 433.45652
• Monoisotopic Mass: 433.16377085
• SMILES: c12c(=O)n(c(cc1OC(=C(C2c1ccc(cc1)OC)C(=O)OC)N)C)Cc1cnccc1
• Canonical SMILES: COC(=O)C1=C(N)Oc2c(C1c1ccc(cc1)OC)c(=O)n(c(c2)C)Cc1cccnc1
• InChI: InChI=1S/C24H23N3O5/c1-14-11-18-20(23(28)27(14)13-15-5-4-10-26-12-15)19(16-6-8-17(30-2)9-7-16)21(22(25)32-18)24(29)31-3/h4-12,19H,13,25H2,1-3H3
• InChIKey: LGLFXGWEPQOXGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250729
• PubChem CID: 3773252

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.6870193
• LogD (pH = 7.4): 1.7591052
• Log P: 1.7601242
• Molar Refractivity: 129.991 cm^3
• Polarizability: 45.271984 Å^3
• Polar Surface Area: 103.98 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds