2-amino-6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

C21H16F3N3 — CID 3505771

IUPAC2-amino-6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESCc1ccc(C)c(-c2cc(-c3ccc(C(F)(F)F)cc3)c(C#N)c(N)n2)c1
InChIInChI=1S/C21H16F3N3/c1-12-3-4-13(2)16(9-12)19-10-17(18(11-25)20(26)27-19)14-5-7-15(8-6-14)21(22,23)24/h3-10H,1-2H3,(H2,26,27)
InChIKeyDJJHCFJKBGWCCT-UHFFFAOYSA-N
MW367.37 g/mol
LogP5.51
Rot. Bonds2

About 2-amino-6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

2-amino-6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (PubChem CID 3505771) has the molecular formula C21H16F3N3 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-amino-6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
PubChem CID3505771
Molecular FormulaC21H16F3N3
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC Name2-amino-6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESCc1ccc(C)c(-c2cc(-c3ccc(C(F)(F)F)cc3)c(C#N)c(N)n2)c1
InChIInChI=1S/C21H16F3N3/c1-12-3-4-13(2)16(9-12)19-10-17(18(11-25)20(26)27-19)14-5-7-15(8-6-14)21(22,23)24/h3-10H,1-2H3,(H2,26,27)
InChIKeyDJJHCFJKBGWCCT-UHFFFAOYSA-N
XLogP5.51
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.37
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]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-amino-6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (CID 3505771) is 2-amino-6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is Cc1ccc(C)c(-c2cc(-c3ccc(C(F)(F)F)cc3)c(C#N)c(N)n2)c1.
What is the InChIKey of 2-amino-6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is DJJHCFJKBGWCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3/c1-12-3-4-13(2)16(9-12)19-10-17(18(11-25)20(26)27-19)14-5-7-15(8-6-14)21(22,23)24/h3-10H,1-2H3,(H2,26,27).
What are the key properties of 2-amino-6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
2-amino-6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile has a molecular weight of 367.37 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 3505771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).