N-[1-(pyrazin-2-yl)piperidin-3-yl]pyridine-4-carboxamide

• ChemBase ID: 689925
• Molecular Formular: C15H17N5O
• Molecular Mass: 283.32838
• Monoisotopic Mass: 283.14331019
• SMILES: N1(c2nccnc2)CC(NC(=O)c2ccncc2)CCC1
• Canonical SMILES: O=C(c1ccncc1)NC1CCCN(C1)c1cnccn1
• InChI: InChI=1S/C15H17N5O/c21-15(12-3-5-16-6-4-12)19-13-2-1-9-20(11-13)14-10-17-7-8-18-14/h3-8,10,13H,1-2,9,11H2,(H,19,21)
• InChIKey: QERXSTIRIHEQKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(pyrazin-2-yl)piperidin-3-yl]pyridine-4-carboxamide
• IUPAC Traditional name: N-[1-(pyrazin-2-yl)piperidin-3-yl]pyridine-4-carboxamide
• Synonyms: N-(1-pyrazin-2-ylpiperidin-3-yl)isonicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.25652
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.36111972
• LogD (pH = 7.4): 0.36429104
• Log P: 0.3643317
• Molar Refractivity: 79.6047 cm^3
• Polarizability: 29.69542 Å^3
• Polar Surface Area: 71.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.17
• LOG S: -2.72
• Polar Surface Area: 71.01 Å^2
• Rotatable Bonds: 3