6-amino-N-[1-(pyrazin-2-yl)propan-2-yl]pyridine-2-carboxamide

• ChemBase ID: 852554
• Molecular Formular: C13H15N5O
• Molecular Mass: 257.2911
• Monoisotopic Mass: 257.12766013
• SMILES: C(=O)(c1nc(N)ccc1)NC(Cc1nccnc1)C
• Canonical SMILES: CC(NC(=O)c1cccc(n1)N)Cc1cnccn1
• InChI: InChI=1S/C13H15N5O/c1-9(7-10-8-15-5-6-16-10)17-13(19)11-3-2-4-12(14)18-11/h2-6,8-9H,7H2,1H3,(H2,14,18)(H,17,19)
• InChIKey: NALQIKXHOYCIFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-N-[1-(pyrazin-2-yl)propan-2-yl]pyridine-2-carboxamide
• IUPAC Traditional name: 6-amino-N-[1-(pyrazin-2-yl)propan-2-yl]pyridine-2-carboxamide
• Synonyms: 6-amino-N-(1-methyl-2-pyrazin-2-ylethyl)pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.838364
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.004500948
• LogD (pH = 7.4): 0.0054474585
• Log P: 0.005459565
• Molar Refractivity: 71.4129 cm^3
• Polarizability: 26.74828 Å^3
• Polar Surface Area: 93.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.16
• LOG S: -2.25
• Polar Surface Area: 93.79 Å^2
• Rotatable Bonds: 4