N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,6-dimethylpyridine-4-carboxamide

• ChemBase ID: 787406
• Molecular Formular: C16H24N4O2
• Molecular Mass: 304.38736
• Monoisotopic Mass: 304.18992603
• SMILES: C1(C(=O)N)CN(CCNC(=O)c2cc(nc(c2)C)C)CCC1
• Canonical SMILES: NC(=O)C1CCCN(C1)CCNC(=O)c1cc(C)nc(c1)C
• InChI: InChI=1S/C16H24N4O2/c1-11-8-14(9-12(2)19-11)16(22)18-5-7-20-6-3-4-13(10-20)15(17)21/h8-9,13H,3-7,10H2,1-2H3,(H2,17,21)(H,18,22)
• InChIKey: NDCVSWZFSIXXEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,6-dimethylpyridine-4-carboxamide
• IUPAC Traditional name: N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,6-dimethylpyridine-4-carboxamide
• Synonyms: N-{2-[3-(aminocarbonyl)piperidin-1-yl]ethyl}-2,6-dimethylisonicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.401456
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.1702898
• LogD (pH = 7.4): -1.3362048
• Log P: -0.4666499
• Molar Refractivity: 85.1284 cm^3
• Polarizability: 32.544197 Å^3
• Polar Surface Area: 88.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.52
• LOG S: -2.29
• Polar Surface Area: 88.32 Å^2
• Rotatable Bonds: 5