N3-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]piperidine-1,3-dicarboxamide

• ChemBase ID: 653788
• Molecular Formular: C16H24N4O3
• Molecular Mass: 320.38676
• Monoisotopic Mass: 320.18484065
• SMILES: N1(C(=O)N)CC(C(=O)NCc2c(c(c(cn2)C)OC)C)CCC1
• Canonical SMILES: COc1c(C)cnc(c1C)CNC(=O)C1CCCN(C1)C(=O)N
• InChI: InChI=1S/C16H24N4O3/c1-10-7-18-13(11(2)14(10)23-3)8-19-15(21)12-5-4-6-20(9-12)16(17)22/h7,12H,4-6,8-9H2,1-3H3,(H2,17,22)(H,19,21)
• InChIKey: RUDSRJBAYGBWJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]piperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]piperidine-1,3-dicarboxamide
• Synonyms: N~3~-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.04017
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.76831305
• LogD (pH = 7.4): 0.12896544
• Log P: 0.18671392
• Molar Refractivity: 86.3619 cm^3
• Polarizability: 33.074 Å^3
• Polar Surface Area: 97.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.75
• LOG S: -2.21
• Polar Surface Area: 97.55 Å^2
• Rotatable Bonds: 4