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

C22H19F3N2O2 — CID 7598829

IUPACN-(2,6-dimethylphenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C22H19F3N2O2/c1-14-6-3-7-15(2)19(14)26-20(28)18-10-5-11-27(21(18)29)13-16-8-4-9-17(12-16)22(23,24)25/h3-12H,13H2,1-2H3,(H,26,28)
InChIKeyIGZJNRMFYUXPML-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.78
Rot. Bonds4

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

N-(2,6-dimethylphenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 7598829) has the molecular formula C22H19F3N2O2 and a molecular weight of 400.40 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID7598829
Molecular FormulaC22H19F3N2O2
Molecular Weight400.40 g/mol
Exact Mass400.14
IUPAC NameN-(2,6-dimethylphenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C22H19F3N2O2/c1-14-6-3-7-15(2)19(14)26-20(28)18-10-5-11-27(21(18)29)13-16-8-4-9-17(12-16)22(23,24)25/h3-12H,13H2,1-2H3,(H,26,28)
InChIKeyIGZJNRMFYUXPML-UHFFFAOYSA-N
XLogP4.78
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26843705
N-(2,6-dimethylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697298
1-[[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]-1-phenylthiourea
CID 20850313
1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 7422772
N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 22582914
1-cyclohexyl-3-(2,6-dimethylphenyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]urea
CID 3898974
1-[(3-methylphenyl)methyl]-N-(3-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide
CID 7598392
N-(4-bromophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26843720
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
CID 7598862
1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7597691
N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599167
1-[(3-methylphenyl)methyl]-2-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide
CID 86845813

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (CID 7598829) is N-(2,6-dimethylphenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is Cc1cccc(C)c1NC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is IGZJNRMFYUXPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O2/c1-14-6-3-7-15(2)19(14)26-20(28)18-10-5-11-27(21(18)29)13-16-8-4-9-17(12-16)22(23,24)25/h3-12H,13H2,1-2H3,(H,26,28).
What are the key properties of N-(2,6-dimethylphenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
N-(2,6-dimethylphenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 400.40 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 7598829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).