N1,N1-dimethyl-N3-{2-[(4-methylpyridin-2-yl)amino]ethyl}piperidine-1,3-dicarboxamide

• ChemBase ID: 817101
• Molecular Formular: C17H27N5O2
• Molecular Mass: 333.42858
• Monoisotopic Mass: 333.21647513
• SMILES: C(=O)(N1CC(C(=O)NCCNc2nccc(c2)C)CCC1)N(C)C
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N(C)C)NCCNc1nccc(c1)C
• InChI: InChI=1S/C17H27N5O2/c1-13-6-7-18-15(11-13)19-8-9-20-16(23)14-5-4-10-22(12-14)17(24)21(2)3/h6-7,11,14H,4-5,8-10,12H2,1-3H3,(H,18,19)(H,20,23)
• InChIKey: DHRFKNXBZVABBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N1,N1-dimethyl-N3-{2-[(4-methylpyridin-2-yl)amino]ethyl}piperidine-1,3-dicarboxamide
• IUPAC Traditional name: N1,N1-dimethyl-N3-{2-[(4-methylpyridin-2-yl)amino]ethyl}piperidine-1,3-dicarboxamide
• Synonyms: N~1~,N~1~-dimethyl-N~3~-{2-[(4-methylpyridin-2-yl)amino]ethyl}piperidine-1,3-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.651155
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.0155371
• LogD (pH = 7.4): 0.04731898
• Log P: 0.34132746
• Molar Refractivity: 95.1568 cm^3
• Polarizability: 35.434933 Å^3
• Polar Surface Area: 77.57 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: 2.06
• LOG S: -3.39
• Polar Surface Area: 77.57 Å^2
• Rotatable Bonds: 5