(Z)-N'-hydroxy-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboximidamide

• ChemBase ID: 124633
• Molecular Formular: C8H11N3O2
• Molecular Mass: 181.19184
• Monoisotopic Mass: 181.08512661
• SMILES: c1(c(=O)[nH]c(cc1C)C)/C(=N/O)/N
• Canonical SMILES: O/N=C(/c1c(C)cc([nH]c1=O)C)\N
• InChI: InChI=1S/C8H11N3O2/c1-4-3-5(2)10-8(12)6(4)7(9)11-13/h3,13H,1-2H3,(H2,9,11)(H,10,12)
• InChIKey: SAEMXOONDDYPKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxy-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboximidamide
• IUPAC Traditional name: (Z)-N'-hydroxy-4,6-dimethyl-2-oxo-1H-pyridine-3-carboximidamide
• Synonyms: (Z)-N'-hydroxy-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboximidamide

Database IDs

• PubChem SID: 162218986
• PubChem CID: 6285333

CALCULATED PROPERTIES

• Acid pKa: 10.344025
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.6914054
• LogD (pH = 7.4): -0.6912546
• Log P: -0.6907572
• Molar Refractivity: 49.9867 cm^3
• Polarizability: 18.05788 Å^3
• Polar Surface Area: 87.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true