1-[(2-methylphenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C21H17F3N2O2 — CID 8671200

IUPAC1-[(2-methylphenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1ccccc1Cn1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1=O
InChIInChI=1S/C21H17F3N2O2/c1-14-5-2-3-6-15(14)12-26-13-16(9-10-19(26)27)20(28)25-18-8-4-7-17(11-18)21(22,23)24/h2-11,13H,12H2,1H3,(H,25,28)
InChIKeyKJBXBXGXGFLCLH-UHFFFAOYSA-N
MW386.37 g/mol
LogP4.48
Rot. Bonds4

About 1-[(2-methylphenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

1-[(2-methylphenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 8671200) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID8671200
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC Name1-[(2-methylphenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1ccccc1Cn1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1=O
InChIInChI=1S/C21H17F3N2O2/c1-14-5-2-3-6-15(14)12-26-13-16(9-10-19(26)27)20(28)25-18-8-4-7-17(11-18)21(22,23)24/h2-11,13H,12H2,1H3,(H,25,28)
InChIKeyKJBXBXGXGFLCLH-UHFFFAOYSA-N
XLogP4.48
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 3778980
N-(4-bromo-3-methylphenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843861
N-(2,6-dimethylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697298
N-(3-fluorophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697243
N-(2,4-difluorophenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671220
N-(3-chlorophenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26844128
N-(4-fluorophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697248
N-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671462
1-[(2-fluorophenyl)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide
CID 26844062
N-(1,3-benzodioxol-5-yl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 18582674
1-[(2,5-dimethylphenyl)methyl]-N-(3-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671473
4-[[2-(2-methylphenyl)acetyl]carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639647

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 1-[(2-methylphenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 8671200) is 1-[(2-methylphenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1ccccc1Cn1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1=O.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is KJBXBXGXGFLCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c1-14-5-2-3-6-15(14)12-26-13-16(9-10-19(26)27)20(28)25-18-8-4-7-17(11-18)21(22,23)24/h2-11,13H,12H2,1H3,(H,25,28).
What are the key properties of 1-[(2-methylphenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
1-[(2-methylphenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 386.37 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 8671200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).