1-(pyridin-4-yl)cyclopropane-1-carboxamide

• ChemBase ID: 292330
• Molecular Formular: C9H10N2O
• Molecular Mass: 162.1885
• Monoisotopic Mass: 162.07931295
• SMILES: NC(=O)C1(CC1)c1ccncc1
• Canonical SMILES: NC(=O)C1(CC1)c1ccncc1
• InChI: InChI=1S/C9H10N2O/c10-8(12)9(3-4-9)7-1-5-11-6-2-7/h1-2,5-6H,3-4H2,(H2,10,12)
• InChIKey: JVPMPKVKHAAUHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-4-yl)cyclopropane-1-carboxamide
• IUPAC Traditional name: 1-(pyridin-4-yl)cyclopropane-1-carboxamide
• Synonyms: 1-(Pyridin-4-yl)cyclopropanecarboxamide

Database IDs

• CAS Number: 792175-88-3
• PubChem SID: 180677861
• PubChem CID: 17934368

CALCULATED PROPERTIES

• Acid pKa: 15.628886
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.111357935
• LogD (pH = 7.4): 0.22002219
• Log P: 0.22165374
• Molar Refractivity: 44.3042 cm^3
• Polarizability: 17.272142 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%