6-phenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile

C16H12F3N3 — CID 3640651

IUPAC6-phenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESC=CCNc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C16H12F3N3/c1-2-8-21-15-12(10-20)13(16(17,18)19)9-14(22-15)11-6-4-3-5-7-11/h2-7,9H,1,8H2,(H,21,22)
InChIKeyXAGUECZWDLGNDG-UHFFFAOYSA-N
MW303.29 g/mol
LogP4.24
Rot. Bonds4

About 6-phenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile

6-phenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 3640651) has the molecular formula C16H12F3N3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 6-phenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-phenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID3640651
Molecular FormulaC16H12F3N3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name6-phenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESC=CCNc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C16H12F3N3/c1-2-8-21-15-12(10-20)13(16(17,18)19)9-14(22-15)11-6-4-3-5-7-11/h2-7,9H,1,8H2,(H,21,22)
InChIKeyXAGUECZWDLGNDG-UHFFFAOYSA-N
XLogP4.24
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-phenyl-2-(prop-2-enylamino)-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

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-phenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 3640651) is 6-phenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-phenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-phenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile is C=CCNc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N.
What is the InChIKey of 6-phenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is XAGUECZWDLGNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3/c1-2-8-21-15-12(10-20)13(16(17,18)19)9-14(22-15)11-6-4-3-5-7-11/h2-7,9H,1,8H2,(H,21,22).
What are the key properties of 6-phenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
6-phenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 303.29 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3640651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).