N,2-dimethyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridine-3-carboxamide

• ChemBase ID: 706934
• Molecular Formular: C16H17N5O
• Molecular Mass: 295.33908
• Monoisotopic Mass: 295.14331019
• SMILES: c1(C(=O)N(Cc2nc(c[nH]2)C)C)c(nc2c(c1)cncc2)C
• Canonical SMILES: Cc1c[nH]c(n1)CN(C(=O)c1cc2cnccc2nc1C)C
• InChI: InChI=1S/C16H17N5O/c1-10-7-18-15(19-10)9-21(3)16(22)13-6-12-8-17-5-4-14(12)20-11(13)2/h4-8H,9H2,1-3H3,(H,18,19)
• InChIKey: HATYBRKWNQANPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridine-3-carboxamide
• IUPAC Traditional name: N,2-dimethyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridine-3-carboxamide
• Synonyms: N,2-dimethyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.999289
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.4763485
• LogD (pH = 7.4): 0.13391092
• Log P: 0.15313035
• Molar Refractivity: 82.7716 cm^3
• Polarizability: 32.496544 Å^3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.56
• LOG S: -3.54
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 3