1-(cyclohexylideneamino)-6-(3-hydroxyphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile

C19H16F3N3O2 — CID 67339467

IUPAC1-(cyclohexylideneamino)-6-(3-hydroxyphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccc(O)c2)n(N=C2CCCCC2)c1=O
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)16-10-17(12-5-4-8-14(26)9-12)25(18(27)15(16)11-23)24-13-6-2-1-3-7-13/h4-5,8-10,26H,1-3,6-7H2
InChIKeyARESNTFVSXIPES-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.28
Rot. Bonds2

About 1-(cyclohexylideneamino)-6-(3-hydroxyphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile

1-(cyclohexylideneamino)-6-(3-hydroxyphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 67339467) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 1-(cyclohexylideneamino)-6-(3-hydroxyphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(cyclohexylideneamino)-6-(3-hydroxyphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID67339467
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name1-(cyclohexylideneamino)-6-(3-hydroxyphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccc(O)c2)n(N=C2CCCCC2)c1=O
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)16-10-17(12-5-4-8-14(26)9-12)25(18(27)15(16)11-23)24-13-6-2-1-3-7-13/h4-5,8-10,26H,1-3,6-7H2
InChIKeyARESNTFVSXIPES-UHFFFAOYSA-N
XLogP4.28
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(cyclohexylideneamino)-6-(3-hydroxyphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(Z)-(2-methylcyclohexylidene)amino]-6-(3-methylphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 87362124
1-[(2-methylcyclopentylidene)amino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67338702
1-(cyclohexylideneamino)-3-isocyano-6-phenyl-4-(trifluoromethyl)pyridin-2-one
CID 59099238
1-[(2-methylcyclohexylidene)amino]-6-(2-methylphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67338923
1-(3-methylbutan-2-ylideneamino)-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 91226860
1-[(E)-(2-methylphenyl)methylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 87362252
1-(2-methylbutylideneamino)-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67338573
6-(2-methoxyphenyl)-1-[(Z)-(2-methylcyclohexylidene)amino]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 87362062
1-(3-hydroxy-2-oxobutyl)-6-(3-methylphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67340399
1-[(2,3-dimethylphenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67341009
6-(3-methylphenyl)-2-oxo-1-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67340270
1-[(3-methylphenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67340516

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylideneamino)-6-(3-hydroxyphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 1-(cyclohexylideneamino)-6-(3-hydroxyphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 67339467) is 1-(cyclohexylideneamino)-6-(3-hydroxyphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-(cyclohexylideneamino)-6-(3-hydroxyphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 1-(cyclohexylideneamino)-6-(3-hydroxyphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2cccc(O)c2)n(N=C2CCCCC2)c1=O.
What is the InChIKey of 1-(cyclohexylideneamino)-6-(3-hydroxyphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is ARESNTFVSXIPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c20-19(21,22)16-10-17(12-5-4-8-14(26)9-12)25(18(27)15(16)11-23)24-13-6-2-1-3-7-13/h4-5,8-10,26H,1-3,6-7H2.
What are the key properties of 1-(cyclohexylideneamino)-6-(3-hydroxyphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
1-(cyclohexylideneamino)-6-(3-hydroxyphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 375.35 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylideneamino)-6-(3-hydroxyphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 67339467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).