N-{2-[(pyridin-3-yl)amino]ethyl}-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

• ChemBase ID: 388662
• Molecular Formular: C18H30N4O
• Molecular Mass: 318.457
• Monoisotopic Mass: 318.2419616
• SMILES: N1C(CC(CC1(C)C)CC(=O)NCCNc1cnccc1)(C)C
• Canonical SMILES: O=C(CC1CC(C)(C)NC(C1)(C)C)NCCNc1cccnc1
• InChI: InChI=1S/C18H30N4O/c1-17(2)11-14(12-18(3,4)22-17)10-16(23)21-9-8-20-15-6-5-7-19-13-15/h5-7,13-14,20,22H,8-12H2,1-4H3,(H,21,23)
• InChIKey: GBWLQVAQWSZVFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(pyridin-3-yl)amino]ethyl}-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• IUPAC Traditional name: N-[2-(pyridin-3-ylamino)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• Synonyms: N-[2-(pyridin-3-ylamino)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.952233
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.5725818
• LogD (pH = 7.4): -1.8785245
• Log P: 0.93669707
• Molar Refractivity: 94.6092 cm^3
• Polarizability: 36.51776 Å^3
• Polar Surface Area: 66.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 0.9
• LOG S: -2.29
• Polar Surface Area: 66.05 Å^2
• Rotatable Bonds: 6