6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxy-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carbonitrile

• ChemBase ID: 653697
• Molecular Formular: C15H13N5O3
• Molecular Mass: 311.29542
• Monoisotopic Mass: 311.1018393
• SMILES: c12c(=O)n(ccc1nc(c(c2)C#N)OC)Cc1nnc(o1)CC
• Canonical SMILES: N#Cc1cc2c(nc1OC)ccn(c2=O)Cc1nnc(o1)CC
• InChI: InChI=1S/C15H13N5O3/c1-3-12-18-19-13(23-12)8-20-5-4-11-10(15(20)21)6-9(7-16)14(17-11)22-2/h4-6H,3,8H2,1-2H3
• InChIKey: JRKDKVXEFYTUEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.45945677
• LogD (pH = 7.4): 0.4594568
• Log P: 0.4594568
• Molar Refractivity: 82.1596 cm^3
• Polarizability: 29.667206 Å^3
• Polar Surface Area: 105.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.05
• LOG S: -3.49
• Polar Surface Area: 106.83 Å^2
• Rotatable Bonds: 4