1-[(3-methylphenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C21H15F3N2O — CID 67340516

IUPAC1-[(3-methylphenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1cccc(Cn2c(-c3ccccc3)cc(C(F)(F)F)c(C#N)c2=O)c1
InChIInChI=1S/C21H15F3N2O/c1-14-6-5-7-15(10-14)13-26-19(16-8-3-2-4-9-16)11-18(21(22,23)24)17(12-25)20(26)27/h2-11H,13H2,1H3
InChIKeyPAIOXSFKKDHRPB-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.76
Rot. Bonds3

About 1-[(3-methylphenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

1-[(3-methylphenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 67340516) has the molecular formula C21H15F3N2O and a molecular weight of 368.36 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID67340516
Molecular FormulaC21H15F3N2O
Molecular Weight368.36 g/mol
Exact Mass368.11
IUPAC Name1-[(3-methylphenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1cccc(Cn2c(-c3ccccc3)cc(C(F)(F)F)c(C#N)c2=O)c1
InChIInChI=1S/C21H15F3N2O/c1-14-6-5-7-15(10-14)13-26-19(16-8-3-2-4-9-16)11-18(21(22,23)24)17(12-25)20(26)27/h2-11H,13H2,1H3
InChIKeyPAIOXSFKKDHRPB-UHFFFAOYSA-N
XLogP4.76
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-methylphenyl)-2-oxo-1-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67340270
1-[(2,3-dimethylphenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67341009
6-(4-methylphenyl)-2-oxo-4-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile
CID 87958234
1-benzyl-6-(2,5-dimethylfuran-3-yl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 10193881
1-[(4-chloro-2-methylphenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67338831
1-[(2,4-dimethylphenyl)methyl]-6-(4-methylphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67340602
1-[(2,4-dimethylphenyl)methyl]-2-oxo-6-[4-(4-phenylphenoxy)phenyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67339496
1-(3-hydroxy-2-oxobutyl)-6-(3-methylphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67340399
1-[(2-chlorophenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile;4-[[3-cyano-2-oxo-6-phenyl-4-(trifluoromethyl)-1-pyridinyl]methyl]benzoic acid
CID 160968989
1-[(3-bromophenyl)methyl]-4-methyl-2-oxo-6-phenylpyridine-3-carbonitrile
CID 142264655
4-[chloro(difluoro)methyl]-1-[(2,4-dimethylphenyl)methyl]-6-(3-methylphenyl)-2-oxopyridine-3-carbonitrile
CID 10126935
6-(4-chlorophenyl)-1-[(2,4-dimethylphenyl)methyl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 10287813

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 1-[(3-methylphenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 67340516) is 1-[(3-methylphenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is Cc1cccc(Cn2c(-c3ccccc3)cc(C(F)(F)F)c(C#N)c2=O)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is PAIOXSFKKDHRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O/c1-14-6-5-7-15(10-14)13-26-19(16-8-3-2-4-9-16)11-18(21(22,23)24)17(12-25)20(26)27/h2-11H,13H2,1H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
1-[(3-methylphenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 368.36 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 67340516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).