PH 797804
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide
Molecular Identity
PH 797804
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide
PubChem CID: 22049997
PH 797804 is a member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1-yl}-4-methylbenzoic acid with the amino group of methylamine. It has a role as an anti-inflammatory agent and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of benzamides, an aromatic ether, an organobromine compound, an organofluorine compound and a pyridone.
2D Structure
Properties
C22H19BrF2N2O3
Molecular Formula
477.30
Molecular Weight
g/mol
476.0547
Exact Mass
Da
4.2
XLogP
Drug-like (Lipinski: < 5)
58.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
742
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=C(C=C1)C(=O)NC)N2C(=CC(=C(C2=O)Br)OCC3=C(C=C(C=C3)F)F)CIsomeric SMILES
SMILES: CC1=C(C=C(C=C1)C(=O)NC)N2C(=CC(=C(C2=O)Br)OCC3=C(C=C(C=C3)F)F)CSynonyms(20)
PH-797804586379-66-0PH 797804PH797804SI09I1V827PHA-7978043-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridin-1-yl]-N,4-dimethylbenzamide3-Bromo-4-((2,4-difluorobenzyl)oxy)-1-(5-((methylamino)carbonyl)-2-methylphenyl)-6-methylpyridin-2(1H)-oneCHEBI:82715DTXSID70207342Benzamide, 3-(3-bromo-4-((2,4-difluorophenyl)methoxy)-6-methyl-2-oxo-1(2H)-pyridinyl)-N,4-dimethyl-3-(3-bromo-4-((2,4-difluorophenyl)methoxy)-6-methyl-2-oxopyridin-1-yl)-N,4-dimethylbenzamideRefChem:860493DTXCID70129833110-020-2
Data from PubChem (NCBI)
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Drug Network
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