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

• ChemBase ID: 210122
• Molecular Formular: C17H17N3O4
• Molecular Mass: 327.33458
• Monoisotopic Mass: 327.12190604
• SMILES: c12c(=O)n(c(cc1OC(=C(C2c1cnccc1)C(=O)OC)N)C)C
• Canonical SMILES: COC(=O)C1=C(N)Oc2c(C1c1cccnc1)c(=O)n(c(c2)C)C
• InChI: InChI=1S/C17H17N3O4/c1-9-7-11-13(16(21)20(9)2)12(10-5-4-6-19-8-10)14(15(18)24-11)17(22)23-3/h4-8,12H,18H2,1-3H3
• InChIKey: UVPQERDMMAJCKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164266032
• PubChem CID: 5038810

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.11661569
• LogD (pH = 7.4): 0.19224747
• Log P: 0.19332238
• Molar Refractivity: 98.9152 cm^3
• Polarizability: 33.18452 Å^3
• Polar Surface Area: 94.75 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds