N-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(1-methylpiperidin-4-yl)(pyridin-4-ylmethyl)amino]acetamide

• ChemBase ID: 757344
• Molecular Formular: C19H28N6O
• Molecular Mass: 356.46522
• Monoisotopic Mass: 356.23245955
• SMILES: c1(c(nn(c1)C)C)NC(=O)CN(C1CCN(CC1)C)Cc1ccncc1
• Canonical SMILES: CN1CCC(CC1)N(Cc1ccncc1)CC(=O)Nc1cn(nc1C)C
• InChI: InChI=1S/C19H28N6O/c1-15-18(13-24(3)22-15)21-19(26)14-25(12-16-4-8-20-9-5-16)17-6-10-23(2)11-7-17/h4-5,8-9,13,17H,6-7,10-12,14H2,1-3H3,(H,21,26)
• InChIKey: UOGWHJNNTHRCAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(1-methylpiperidin-4-yl)(pyridin-4-ylmethyl)amino]acetamide
• IUPAC Traditional name: N-(1,3-dimethylpyrazol-4-yl)-2-[(1-methylpiperidin-4-yl)(pyridin-4-ylmethyl)amino]acetamide
• Synonyms: N~1~-(1,3-dimethyl-1H-pyrazol-4-yl)-N~2~-(1-methyl-4-piperidinyl)-N~2~-(4-pyridinylmethyl)glycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.33047
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.4337869
• LogD (pH = 7.4): -1.5339677
• Log P: 0.19529171
• Molar Refractivity: 115.7517 cm^3
• Polarizability: 39.447247 Å^3
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.41
• LOG S: -0.85
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 6