N-(3-chlorophenyl)-2-cyano-3-(3-pyridinyl)acrylamide
Basic information
- CAS
5919-37-9- Standard SMILES
N#C/C(=C\c1cccnc1)C(=O)Nc1cccc(Cl)c1- InChIKey
CXDFAGGCALQOEA-KPKJPENVSA-N- Molecular formula
- C15H10ClN3O
- Average molar mass
- 283.71 g/mol
- Monoisotopic mass
- 283.0512396
Names & identifiers
- Preferred name
- N-(3-chlorophenyl)-2-cyano-3-(3-pyridinyl)acrylamide
- IUPAC
- (E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide
Names & synonyms
5919-37-9N-(3-chlorophenyl)-2-cyano-3-(3-pyridinyl)acrylamide(2E)-N-(3-chlorophenyl)-2-cyano-3-(pyridin-3-yl)prop-2-enamide(E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamideMLS000683294CHEMBL1601829DTXSID101324418HMS2718P24SMSF0009574STK012032AKOS000327783CB00998
Show more names
SMR000267643ST45057438SR-01000223290SR-01000223290-1(2E)-N-(3-chlorophenyl)-2-cyano-3-(3-pyridyl)prop-2-enamide
Database identifiers
- CAS
5919-37-9- PubChem CID
- 877228
- DTXSID
DTXSID101324418- ChEMBL
CHEMBL1601829
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 426
Experimental & physicochemical properties
Solubility10 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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