N3-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide

• ChemBase ID: 776752
• Molecular Formular: C17H27N5O2
• Molecular Mass: 333.42858
• Monoisotopic Mass: 333.21647513
• SMILES: C(=O)(N1CC(C(=O)NCCc2nc(cc(n2)C)C)CCC1)N(C)C
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N(C)C)NCCc1nc(C)cc(n1)C
• InChI: InChI=1S/C17H27N5O2/c1-12-10-13(2)20-15(19-12)7-8-18-16(23)14-6-5-9-22(11-14)17(24)21(3)4/h10,14H,5-9,11H2,1-4H3,(H,18,23)
• InChIKey: QAHUBSHYZKYNMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide
• Synonyms: N~3~-[2-(4,6-dimethyl-2-pyrimidinyl)ethyl]-N~1~,N~1~-dimethyl-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.449398
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.19793305
• LogD (pH = 7.4): 0.19868651
• Log P: 0.19869614
• Molar Refractivity: 92.3462 cm^3
• Polarizability: 35.17368 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.42
• LOG S: -1.99
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 4