2-methoxy-5-oxo-6-[4-(pyridin-2-yl)butyl]-5,6-dihydro-1,6-naphthyridine-3-carbonitrile

• ChemBase ID: 792777
• Molecular Formular: C19H18N4O2
• Molecular Mass: 334.37182
• Monoisotopic Mass: 334.14297584
• SMILES: c12c(=O)n(ccc1nc(c(c2)C#N)OC)CCCCc1ncccc1
• Canonical SMILES: N#Cc1cc2c(nc1OC)ccn(c2=O)CCCCc1ccccn1
• InChI: InChI=1S/C19H18N4O2/c1-25-18-14(13-20)12-16-17(22-18)8-11-23(19(16)24)10-5-3-7-15-6-2-4-9-21-15/h2,4,6,8-9,11-12H,3,5,7,10H2,1H3
• InChIKey: ARCNQXYIELIGRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-oxo-6-[4-(pyridin-2-yl)butyl]-5,6-dihydro-1,6-naphthyridine-3-carbonitrile
• IUPAC Traditional name: 2-methoxy-5-oxo-6-[4-(pyridin-2-yl)butyl]-1,6-naphthyridine-3-carbonitrile
• Synonyms: 2-methoxy-5-oxo-6-(4-pyridin-2-ylbutyl)-5,6-dihydro-1,6-naphthyridine-3-carbonitrile

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.0826814
• LogD (pH = 7.4): 2.4087753
• Log P: 2.415292
• Molar Refractivity: 94.2157 cm^3
• Polarizability: 35.398674 Å^3
• Polar Surface Area: 79.11 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.36
• LOG S: -3.47
• Polar Surface Area: 80.8 Å^2
• Rotatable Bonds: 6