N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridazine-3-carboxamide

• ChemBase ID: 712797
• Molecular Formular: C15H17N5O
• Molecular Mass: 283.32838
• Monoisotopic Mass: 283.14331019
• SMILES: c1(c2c(cnc1C)CNCC2)CNC(=O)c1nnccc1
• Canonical SMILES: Cc1ncc2c(c1CNC(=O)c1cccnn1)CCNC2
• InChI: InChI=1S/C15H17N5O/c1-10-13(12-4-6-16-7-11(12)8-17-10)9-18-15(21)14-3-2-5-19-20-14/h2-3,5,8,16H,4,6-7,9H2,1H3,(H,18,21)
• InChIKey: JQIKYUKPPWEKAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridazine-3-carboxamide
• IUPAC Traditional name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridazine-3-carboxamide
• Synonyms: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-pyridazinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.516298
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.5564656
• LogD (pH = 7.4): -2.024221
• Log P: -0.5276217
• Molar Refractivity: 80.9723 cm^3
• Polarizability: 29.9299 Å^3
• Polar Surface Area: 79.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.95
• LOG S: -0.47
• Polar Surface Area: 79.8 Å^2
• Rotatable Bonds: 3