6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide

C22H18F4N2O3 — CID 90347490

IUPAC6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-c3cc(F)cc(C(F)(F)F)c3)n(C)c(=O)c2O)cc1
InChIInChI=1S/C22H18F4N2O3/c1-12-3-5-13(6-4-12)11-27-20(30)17-10-18(28(2)21(31)19(17)29)14-7-15(22(24,25)26)9-16(23)8-14/h3-10,29H,11H2,1-2H3,(H,27,30)
InChIKeyOMXBXNPLZJFBJT-UHFFFAOYSA-N
MW434.39 g/mol
LogP4.15
Rot. Bonds4

About 6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide

6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide (PubChem CID 90347490) has the molecular formula C22H18F4N2O3 and a molecular weight of 434.39 g/mol. Its IUPAC name is 6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
PubChem CID90347490
Molecular FormulaC22H18F4N2O3
Molecular Weight434.39 g/mol
Exact Mass434.13
IUPAC Name6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-c3cc(F)cc(C(F)(F)F)c3)n(C)c(=O)c2O)cc1
InChIInChI=1S/C22H18F4N2O3/c1-12-3-5-13(6-4-12)11-27-20(30)17-10-18(28(2)21(31)19(17)29)14-7-15(22(24,25)26)9-16(23)8-14/h3-10,29H,11H2,1-2H3,(H,27,30)
InChIKeyOMXBXNPLZJFBJT-UHFFFAOYSA-N
XLogP4.15
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide
CID 71541976
methyl 3-[3-[[6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl]amino]propoxy]benzoate
CID 71547553
3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 71548055
2-hydroxy-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 31694167
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 42785293
1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 110694470
1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-carboxamide
CID 110691242
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
3-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134798846
2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 62073634
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717933
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54697635

Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide?
The IUPAC name of 6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide (CID 90347490) is 6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide?
The canonical SMILES for 6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide is Cc1ccc(CNC(=O)c2cc(-c3cc(F)cc(C(F)(F)F)c3)n(C)c(=O)c2O)cc1.
What is the InChIKey of 6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide?
The InChIKey is OMXBXNPLZJFBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N2O3/c1-12-3-5-13(6-4-12)11-27-20(30)17-10-18(28(2)21(31)19(17)29)14-7-15(22(24,25)26)9-16(23)8-14/h3-10,29H,11H2,1-2H3,(H,27,30).
What are the key properties of 6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide?
6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide has a molecular weight of 434.39 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 90347490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).