methyl 6-amino-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxylate

• ChemBase ID: 61122
• Molecular Formular: C11H11N3O3
• Molecular Mass: 233.22334
• Monoisotopic Mass: 233.08004123
• SMILES: c12c(=O)n(ccc1nc(c(c2)C(=O)OC)C)N
• Canonical SMILES: COC(=O)c1cc2c(nc1C)ccn(c2=O)N
• InChI: InChI=1S/C11H11N3O3/c1-6-7(11(16)17-2)5-8-9(13-6)3-4-14(12)10(8)15/h3-5H,12H2,1-2H3
• InChIKey: FBINFHULTKOGFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-amino-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxylate
• IUPAC Traditional name: methyl 6-amino-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
• Synonyms: Methyl 6-amino-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxylate

Database IDs

• MDL Number: MFCD11982964
• PubChem SID: 162026863
• PubChem CID: 28823759

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.17713968
• LogD (pH = 7.4): 0.17857157
• Log P: 0.17858985
• Molar Refractivity: 61.9327 cm^3
• Polarizability: 22.726696 Å^3
• Polar Surface Area: 85.52 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false