2,4-bis(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile

C21H17F3N2O — CID 122362682

IUPAC2,4-bis(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
SMILESCc1ccc(C2=C(C#N)C(=O)NC(c3ccc(C)cc3)(C(F)(F)F)C2)cc1
InChIInChI=1S/C21H17F3N2O/c1-13-3-7-15(8-4-13)17-11-20(21(22,23)24,26-19(27)18(17)12-25)16-9-5-14(2)6-10-16/h3-10H,11H2,1-2H3,(H,26,27)
InChIKeyGPDLFGWFXCTNMX-UHFFFAOYSA-N
MW370.37 g/mol
LogP4.56
Rot. Bonds2

About 2,4-bis(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile

2,4-bis(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile (PubChem CID 122362682) has the molecular formula C21H17F3N2O and a molecular weight of 370.37 g/mol. Its IUPAC name is 2,4-bis(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name2,4-bis(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
PubChem CID122362682
Molecular FormulaC21H17F3N2O
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name2,4-bis(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
SMILESCc1ccc(C2=C(C#N)C(=O)NC(c3ccc(C)cc3)(C(F)(F)F)C2)cc1
InChIInChI=1S/C21H17F3N2O/c1-13-3-7-15(8-4-13)17-11-20(21(22,23)24,26-19(27)18(17)12-25)16-9-5-14(2)6-10-16/h3-10H,11H2,1-2H3,(H,26,27)
InChIKeyGPDLFGWFXCTNMX-UHFFFAOYSA-N
XLogP4.56
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Dihydro-2-oxo-4,6-diphenyl-3-pyridinecarbonitrile
CID 368861
6-Methyl-4,6-bis(4-methylphenyl)-2-oxo-1,2,5,6-tetrahydro-3-pyridinecarbonitrile
CID 23736802
2-Methyl-4-(4-methylphenyl)-6-oxo-2-pentyl-1,3-dihydropyridine-5-carbonitrile
CID 89606502
2-(4-Tert-butylphenyl)-4-(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362687
4-(4-Methylphenyl)-6-oxo-2-(4-pentylphenyl)-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362699
Mls002704047
CID 268176
N-(1,1-Diphenyl-2,2,2-trifluoroethyl)-acetamide
CID 417450
4-(Trifluoromethyl)-1,2-dihydro-2-oxo-6-p-tolylpyridine-3-carbonitrile
CID 3139769
4-(4-Methylphenyl)-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 12652348
8-methyl-4-(4-methylphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 168271491
4-(4-methylphenyl)-8-(2-methylpropyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 168274472
4-(4-methylphenyl)-2-oxo-8-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 168282013

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile?
The IUPAC name of 2,4-bis(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile (CID 122362682) is 2,4-bis(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 2,4-bis(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile?
The canonical SMILES for 2,4-bis(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile is Cc1ccc(C2=C(C#N)C(=O)NC(c3ccc(C)cc3)(C(F)(F)F)C2)cc1.
What is the InChIKey of 2,4-bis(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile?
The InChIKey is GPDLFGWFXCTNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O/c1-13-3-7-15(8-4-13)17-11-20(21(22,23)24,26-19(27)18(17)12-25)16-9-5-14(2)6-10-16/h3-10H,11H2,1-2H3,(H,26,27).
What are the key properties of 2,4-bis(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile?
2,4-bis(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile has a molecular weight of 370.37 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 122362682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).