4-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1H-imidazole-2-carboxamide

• ChemBase ID: 636690
• Molecular Formular: C15H19N5O
• Molecular Mass: 285.34426
• Monoisotopic Mass: 285.15896025
• SMILES: c1(nc(c[nH]1)C)C(=O)NCc1c2c(cnc1C)CNCC2
• Canonical SMILES: Cc1c[nH]c(n1)C(=O)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C15H19N5O/c1-9-5-18-14(20-9)15(21)19-8-13-10(2)17-7-11-6-16-4-3-12(11)13/h5,7,16H,3-4,6,8H2,1-2H3,(H,18,20)(H,19,21)
• InChIKey: MGDPTSKCBHHDLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1H-imidazole-2-carboxamide
• IUPAC Traditional name: 4-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1H-imidazole-2-carboxamide
• Synonyms: 4-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1H-imidazole-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.278972
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.3563128
• LogD (pH = 7.4): -1.8222619
• Log P: -0.3255846
• Molar Refractivity: 80.6614 cm^3
• Polarizability: 30.297926 Å^3
• Polar Surface Area: 82.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.25
• LOG S: -1.08
• Polar Surface Area: 82.7 Å^2
• Rotatable Bonds: 3