4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-N-phenylpiperidine-1-carboxamide

• ChemBase ID: 372421
• Molecular Formular: C19H25N5O
• Molecular Mass: 339.4347
• Monoisotopic Mass: 339.20591045
• SMILES: C(=O)(N1CCC(Nc2nc(ncc2CC)C)CC1)Nc1ccccc1
• Canonical SMILES: CCc1cnc(nc1NC1CCN(CC1)C(=O)Nc1ccccc1)C
• InChI: InChI=1S/C19H25N5O/c1-3-15-13-20-14(2)21-18(15)22-17-9-11-24(12-10-17)19(25)23-16-7-5-4-6-8-16/h4-8,13,17H,3,9-12H2,1-2H3,(H,23,25)(H,20,21,22)
• InChIKey: NRWATYOTGOHSKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-N-phenylpiperidine-1-carboxamide
• IUPAC Traditional name: 4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-N-phenylpiperidine-1-carboxamide
• Synonyms: 4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-N-phenylpiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.424198
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.2810879
• LogD (pH = 7.4): 2.9921935
• Log P: 3.0165744
• Molar Refractivity: 102.3503 cm^3
• Polarizability: 37.292072 Å^3
• Polar Surface Area: 70.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.55
• LOG S: -3.85
• Polar Surface Area: 70.15 Å^2
• Rotatable Bonds: 4