[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]cyanamide

C14H7F3N4 — CID 10913190

IUPAC[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]cyanamide
SMILESN#CNc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C14H7F3N4/c15-14(16,17)11-6-12(9-4-2-1-3-5-9)21-13(20-8-19)10(11)7-18/h1-6H,(H,20,21)
InChIKeyJUKIQBDOZZOVIF-UHFFFAOYSA-N
MW288.23 g/mol
LogP3.53
Rot. Bonds2

About [3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]cyanamide

[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]cyanamide (PubChem CID 10913190) has the molecular formula C14H7F3N4 and a molecular weight of 288.23 g/mol. Its IUPAC name is [3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]cyanamide.

Molecular Properties

Compound Name[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]cyanamide
PubChem CID10913190
Molecular FormulaC14H7F3N4
Molecular Weight288.23 g/mol
Exact Mass288.06
IUPAC Name[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]cyanamide
SMILESN#CNc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C14H7F3N4/c15-14(16,17)11-6-12(9-4-2-1-3-5-9)21-13(20-8-19)10(11)7-18/h1-6H,(H,20,21)
InChIKeyJUKIQBDOZZOVIF-UHFFFAOYSA-N
XLogP3.53
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze [3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]cyanamide 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

2-(cyanomethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 3135060
2-(naphthalen-1-ylmethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 19257192
6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 11097920
2-chloro-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 87895153
2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 125117471
2-[(3-bromophenyl)methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 4623496
6-(4-chlorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 10618480
2-(propan-2-ylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2726259
2-(2-methylanilino)-4,6-diphenylpyridine-3-carbonitrile
CID 35214913
3-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-cyclohexylpropanamide
CID 2975462
6-(4-bromophenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 4737312
6-(methylamino)-2-(2-methylsulfanylanilino)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 171788240

Frequently Asked Questions

What is the IUPAC name of [3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]cyanamide?
The IUPAC name of [3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]cyanamide (CID 10913190) is [3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]cyanamide.
What is the SMILES notation for [3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]cyanamide?
The canonical SMILES for [3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]cyanamide is N#CNc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N.
What is the InChIKey of [3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]cyanamide?
The InChIKey is JUKIQBDOZZOVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N4/c15-14(16,17)11-6-12(9-4-2-1-3-5-9)21-13(20-8-19)10(11)7-18/h1-6H,(H,20,21).
What are the key properties of [3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]cyanamide?
[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]cyanamide has a molecular weight of 288.23 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]cyanamide is sourced from PubChem (CID 10913190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).