N-cyclopropyl-1-(5-hydroxypyrazine-2-carbonyl)piperazine-2-carboxamide

• ChemBase ID: 661703
• Molecular Formular: C13H17N5O3
• Molecular Mass: 291.30578
• Monoisotopic Mass: 291.13313943
• SMILES: N1(C(=O)c2ncc(nc2)O)C(C(=O)NC2CC2)CNCC1
• Canonical SMILES: O=C(C1CNCCN1C(=O)c1cnc(cn1)O)NC1CC1
• InChI: InChI=1S/C13H17N5O3/c19-11-7-15-9(5-16-11)13(21)18-4-3-14-6-10(18)12(20)17-8-1-2-8/h5,7-8,10,14H,1-4,6H2,(H,16,19)(H,17,20)
• InChIKey: CISXEEBEUANRQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-(5-hydroxypyrazine-2-carbonyl)piperazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-(5-hydroxypyrazine-2-carbonyl)piperazine-2-carboxamide
• Synonyms: N-cyclopropyl-1-[(5-hydroxy-2-pyrazinyl)carbonyl]-2-piperazinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.684802
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -3.022691
• LogD (pH = 7.4): -1.6194266
• Log P: -1.4510548
• Molar Refractivity: 73.0538 cm^3
• Polarizability: 28.11008 Å^3
• Polar Surface Area: 107.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 3
• Log P: -2.74
• LOG S: -0.29
• Polar Surface Area: 107.45 Å^2
• Rotatable Bonds: 3