N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 612542
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: c1(c(=O)[nH]c(cc1C)C)C(=O)NCC1(Cn2nc(cc2C)C)CC1
• Canonical SMILES: Cc1cc(C)c(c(=O)[nH]1)C(=O)NCC1(CC1)Cn1nc(cc1C)C
• InChI: InChI=1S/C18H24N4O2/c1-11-7-12(2)20-17(24)15(11)16(23)19-9-18(5-6-18)10-22-14(4)8-13(3)21-22/h7-8H,5-6,9-10H2,1-4H3,(H,19,23)(H,20,24)
• InChIKey: XXUREGKKOJEVKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-({1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl}methyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.034916
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.5916691
• LogD (pH = 7.4): 0.59456646
• Log P: 0.59469384
• Molar Refractivity: 105.4957 cm^3
• Polarizability: 35.08742 Å^3
• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.98
• LOG S: -2.43
• Polar Surface Area: 79.78 Å^2
• Rotatable Bonds: 5