N-ethyl-N-[(2E)-3-phenylprop-2-en-1-yl]pyridine-4-carboxamide

• ChemBase ID: 521154
• Molecular Formular: C17H18N2O
• Molecular Mass: 266.33762
• Monoisotopic Mass: 266.14191321
• SMILES: C(=O)(N(C/C=C/c1ccccc1)CC)c1ccncc1
• Canonical SMILES: CCN(C(=O)c1ccncc1)C/C=C/c1ccccc1
• InChI: InChI=1S/C17H18N2O/c1-2-19(17(20)16-10-12-18-13-11-16)14-6-9-15-7-4-3-5-8-15/h3-13H,2,14H2,1H3/b9-6+
• InChIKey: UDFVFGOGEWTXJS-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-[(2E)-3-phenylprop-2-en-1-yl]pyridine-4-carboxamide
• IUPAC Traditional name: N-ethyl-N-[(2E)-3-phenylprop-2-en-1-yl]pyridine-4-carboxamide
• Synonyms: N-ethyl-N-[(2E)-3-phenylprop-2-en-1-yl]isonicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.741941
• LogD (pH = 7.4): 2.744727
• Log P: 2.7447627
• Molar Refractivity: 82.4527 cm^3
• Polarizability: 30.914854 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.41
• LOG S: -3.2
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 5