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

• ChemBase ID: 223476
• Molecular Formular: C16H20N2O3
• Molecular Mass: 288.3416
• Monoisotopic Mass: 288.14739251
• SMILES: c12c(=O)n(ccc1nc(c(c2)C(=O)OC)C)CCCCC
• Canonical SMILES: CCCCCn1ccc2c(c1=O)cc(c(n2)C)C(=O)OC
• InChI: InChI=1S/C16H20N2O3/c1-4-5-6-8-18-9-7-14-13(15(18)19)10-12(11(2)17-14)16(20)21-3/h7,9-10H,4-6,8H2,1-3H3
• InChIKey: DXNUMDJVGPJFMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164279386
• PubChem CID: 43864510

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4666
• LogD (pH = 7.4): 2.4672017
• Log P: 2.4672093
• Molar Refractivity: 80.8199 cm^3
• Polarizability: 30.459604 Å^3
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds