2-methoxy-6-[3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propyl]-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carbonitrile

• ChemBase ID: 490821
• Molecular Formular: C19H18N4O3
• Molecular Mass: 350.37122
• Monoisotopic Mass: 350.13789046
• SMILES: c12c(=O)n(ccc1nc(c(c2)C#N)OC)CCCn1c(=O)cccc1C
• Canonical SMILES: N#Cc1cc2c(nc1OC)ccn(c2=O)CCCn1c(C)cccc1=O
• InChI: InChI=1S/C19H18N4O3/c1-13-5-3-6-17(24)23(13)9-4-8-22-10-7-16-15(19(22)25)11-14(12-20)18(21-16)26-2/h3,5-7,10-11H,4,8-9H2,1-2H3
• InChIKey: DVGBCDHSERTRTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-6-[3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propyl]-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carbonitrile
• IUPAC Traditional name: 2-methoxy-6-[3-(2-methyl-6-oxopyridin-1-yl)propyl]-5-oxo-1,6-naphthyridine-3-carbonitrile
• Synonyms: 2-methoxy-6-[3-(6-methyl-2-oxopyridin-1(2H)-yl)propyl]-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carbonitrile

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1878223
• LogD (pH = 7.4): 1.1878223
• Log P: 1.1878223
• Molar Refractivity: 99.8843 cm^3
• Polarizability: 36.005478 Å^3
• Polar Surface Area: 86.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.44
• LOG S: -4.1
• Polar Surface Area: 89.91 Å^2
• Rotatable Bonds: 5