(E)-2-cyano-3-phenyl-N-pyridin-3-ylprop-2-enamide

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Basic information

CAS: 497245-08-6
Standard SMILES: N#C/C(=C\c1ccccc1)C(=O)Nc1cccnc1
InChIKey: OPOZSMDYPBLIAR-UKTHLTGXSA-N
Molecular formula: C15H11N3O
Average molar mass: 249.27 g/mol
Monoisotopic mass: 249.09021198

Names & identifiers

Preferred name: (E)-2-cyano-3-phenyl-N-pyridin-3-ylprop-2-enamide
IUPAC: (E)-2-cyano-3-phenyl-N-pyridin-3-ylprop-2-enamide

Names & synonyms

(2E)-2-cyano-3-phenyl-N-(pyridin-3-yl)prop-2-enamide(E)-2-cyano-3-phenyl-N-pyridin-3-ylprop-2-enamide497245-08-6MLS000768042CHEMBL1425852DTXSID501330164HMS2791E13STL020980AKOS002185480SMR000431354ST50079511(E)-2-Cyano-3-phenyl-N-pyridin-3-yl-acrylamide

Show more names

(E)-2-cyano-3-phenyl-N-(pyridin-3-yl)acrylamide(2E)-2-cyano-3-phenyl-N-(3-pyridyl)prop-2-enamide

Database identifiers

CAS: 497245-08-6
PubChem CID: 948832
DTXSID: DTXSID501330164
ChEMBL: CHEMBL1425852

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 65.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 387

Experimental & physicochemical properties

Solubility18.3 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

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Compound notes

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