2-(diethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C17H16F3N3 — CID 1477171

IUPAC2-(diethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCN(CC)c1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C17H16F3N3/c1-3-23(4-2)16-13(11-21)14(17(18,19)20)10-15(22-16)12-8-6-5-7-9-12/h5-10H,3-4H2,1-2H3
InChIKeyKFYGEAREIUYUMI-UHFFFAOYSA-N
MW319.33 g/mol
LogP4.49
Rot. Bonds4

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

2-(diethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 1477171) has the molecular formula C17H16F3N3 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-(diethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(diethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID1477171
Molecular FormulaC17H16F3N3
Molecular Weight319.33 g/mol
Exact Mass319.13
IUPAC Name2-(diethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCN(CC)c1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C17H16F3N3/c1-3-23(4-2)16-13(11-21)14(17(18,19)20)10-15(22-16)12-8-6-5-7-9-12/h5-10H,3-4H2,1-2H3
InChIKeyKFYGEAREIUYUMI-UHFFFAOYSA-N
XLogP4.49
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(diethylamino)-6-phenyl-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 2-(diethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(diethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 1477171) is 2-(diethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(diethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(diethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is CCN(CC)c1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N.
What is the InChIKey of 2-(diethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is KFYGEAREIUYUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3/c1-3-23(4-2)16-13(11-21)14(17(18,19)20)10-15(22-16)12-8-6-5-7-9-12/h5-10H,3-4H2,1-2H3.
What are the key properties of 2-(diethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-(diethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 319.33 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 1477171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).