N-[(hydrazinecarbonyl)methyl]pyridine-3-carboxamide

• ChemBase ID: 239185
• Molecular Formular: C8H10N4O2
• Molecular Mass: 194.1906
• Monoisotopic Mass: 194.08037558
• SMILES: C(=O)(c1cnccc1)NCC(=O)NN
• Canonical SMILES: NNC(=O)CNC(=O)c1cccnc1
• InChI: InChI=1S/C8H10N4O2/c9-12-7(13)5-11-8(14)6-2-1-3-10-4-6/h1-4H,5,9H2,(H,11,14)(H,12,13)
• InChIKey: XCPLBTYUTXYLDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(hydrazinecarbonyl)methyl]pyridine-3-carboxamide
• IUPAC Traditional name: N-[(hydrazinecarbonyl)methyl]pyridine-3-carboxamide
• Synonyms: N-[(hydrazinecarbonyl)methyl]pyridine-3-carboxamide

Database IDs

• MDL Number: MFCD00995822
• PubChem SID: 164295095
• PubChem CID: 39070404

CALCULATED PROPERTIES

• Acid pKa: 11.774568
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.8015575
• LogD (pH = 7.4): -1.795638
• Log P: -1.7955452
• Molar Refractivity: 50.2671 cm^3
• Polarizability: 18.653286 Å^3
• Polar Surface Area: 97.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.36

Product Information

• Purity: 95%