N-methylpyrazine-2-carboxamide

• ChemBase ID: 814458
• Molecular Formular: C6H7N3O
• Molecular Mass: 137.13928
• Monoisotopic Mass: 137.05891186
• SMILES: c1c(nccn1)C(=O)NC
• Canonical SMILES: CNC(=O)c1cnccn1
• InChI: InChI=1S/C6H7N3O/c1-7-6(10)5-4-8-2-3-9-5/h2-4H,1H3,(H,7,10)
• InChIKey: OPVFDBZMQPCJEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylpyrazine-2-carboxamide
• IUPAC Traditional name: N-methylpyrazine-2-carboxamide
• Synonyms: N-methylpyrazine-2-carboxamide

Database IDs

• CAS Number: 88393-94-6

CALCULATED PROPERTIES

• Acid pKa: 13.419087
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0019326
• LogD (pH = 7.4): -1.0019327
• Log P: -1.0019324
• Molar Refractivity: 35.3473 cm^3
• Polarizability: 13.261081 Å^3
• Polar Surface Area: 54.88 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%