(2E)-2-cyano-3-(4-methoxyphenyl)-N-(pyridin-2-yl)prop-2-enamide
Basic information
- CAS
367278-79-3- Standard SMILES
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccn2)cc1- InChIKey
XPCHBNKLEGFLOT-JLHYYAGUSA-N- Molecular formula
- C16H13N3O2
- Average molar mass
- 279.29 g/mol
- Monoisotopic mass
- 279.10077667
Names & identifiers
- Preferred name
- (2E)-2-cyano-3-(4-methoxyphenyl)-N-(pyridin-2-yl)prop-2-enamide
- IUPAC
- (E)-2-cyano-3-(4-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide
Names & synonyms
367278-79-3(2E)-2-cyano-3-(4-methoxyphenyl)-N-(pyridin-2-yl)prop-2-enamide(E)-2-cyano-3-(4-methoxyphenyl)-N-(pyridin-2-yl)acrylamide(E)-2-cyano-3-(4-methoxyphenyl)-N-pyridin-2-ylprop-2-enamideMLS001164815CHEMBL1302546DTXSID801330149HMS2862K06STK825424AKOS002185613BS-5049SMR000539866
Show more names
ST50079491SR-01000011562SR-01000011562-1F1305-0323(2E)-2-cyano-3-(4-methoxyphenyl)-N-(2-pyridyl)prop-2-enamide
Database identifiers
- CAS
367278-79-3- PubChem CID
- 948752
- DTXSID
DTXSID801330149- ChEMBL
CHEMBL1302546
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 430
Experimental & physicochemical properties
Solubility3.5 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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