Mol-4239
(2E,4E)-5-(6-bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phenylethyl]penta-2,4-dienamide
Molecular Identity
Mol-4239
(2E,4E)-5-(6-bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phenylethyl]penta-2,4-dienamide
PubChem CID: 44554865
2D Structure
Properties
C19H16BrN3O
Molecular Formula
382.30
Molecular Weight
g/mol
381.0477
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
65.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
528
Complexity
SMILES
Canonical SMILES
SMILES: CC(C1=CC=CC=C1)NC(=O)C(=CC=CC2=NC(=CC=C2)Br)C#NIsomeric SMILES
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)/C(=C/C=C/C2=NC(=CC=C2)Br)/C#NSynonyms(16)
PTN9LJL6PYmol4239MOL-4239WP1220UNII-PTN9LJL6PYWP-1220(2E,4E)-5-(6-Bromo-2-pyridinyl)-2-cyano-N-((1S)-1-phenylethyl)-2,4-pentadienamide2,4-Pentadienamide, 5-(6-bromo-2-pyridinyl)-2-cyano-N-((1S)-1-phenylethyl)-, (2E,4E)-2,4-Pentadienamide, 5-(6-bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phenylethyl]-, (2E,4E)-RefChem:1593321204306-34-2SCHEMBL862248CHEMBL4594434SCHEMBL29818004EX-A6305
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Mol-4239
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