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

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Related Compounds

2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 3506050
2-amino-4,6-bis(2,5-dimethylphenyl)pyridine-3-carbonitrile
CID 3513608
2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230497
2-amino-6-(2,5-dimethylphenyl)-4-(5-methylthiophen-2-yl)pyridine-3-carbonitrile
CID 3517163
2-amino-6-(2-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119022
2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3351973
2-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 10806286
2-amino-4-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 10449235
2-amino-4-(2,5-dimethylphenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile
CID 5118538
2-amino-6-(2-methylphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5230351
2-amino-6-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3464753
2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3350002

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).