6-amino-N-[1-(piperidine-1-carbonyl)piperidin-4-yl]pyridine-2-carboxamide

• ChemBase ID: 727638
• Molecular Formular: C17H25N5O2
• Molecular Mass: 331.4127
• Monoisotopic Mass: 331.20082507
• SMILES: C(=O)(N1CCC(NC(=O)c2nc(N)ccc2)CC1)N1CCCCC1
• Canonical SMILES: Nc1cccc(n1)C(=O)NC1CCN(CC1)C(=O)N1CCCCC1
• InChI: InChI=1S/C17H25N5O2/c18-15-6-4-5-14(20-15)16(23)19-13-7-11-22(12-8-13)17(24)21-9-2-1-3-10-21/h4-6,13H,1-3,7-12H2,(H2,18,20)(H,19,23)
• InChIKey: VJYIGMLFDSAKFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-N-[1-(piperidine-1-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
• IUPAC Traditional name: 6-amino-N-[1-(piperidine-1-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
• Synonyms: 6-amino-N-[1-(piperidin-1-ylcarbonyl)piperidin-4-yl]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.83859
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.19818993
• LogD (pH = 7.4): 0.19913279
• Log P: 0.19914484
• Molar Refractivity: 92.8525 cm^3
• Polarizability: 34.58569 Å^3
• Polar Surface Area: 91.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.45
• LOG S: -2.85
• Polar Surface Area: 91.56 Å^2
• Rotatable Bonds: 2