1,4,4-trimethyl-2,6-diphenylpyridine-3,5-dicarbonitrile

C22H19N3 — CID 628258

IUPAC1,4,4-trimethyl-2,6-diphenylpyridine-3,5-dicarbonitrile
SMILESCN1C(c2ccccc2)=C(C#N)C(C)(C)C(C#N)=C1c1ccccc1
InChIInChI=1S/C22H19N3/c1-22(2)18(14-23)20(16-10-6-4-7-11-16)25(3)21(19(22)15-24)17-12-8-5-9-13-17/h4-13H,1-3H3
InChIKeyDAJLZSAGPPAXFO-UHFFFAOYSA-N
MW325.42 g/mol
LogP4.83
Rot. Bonds2

About 1,4,4-trimethyl-2,6-diphenylpyridine-3,5-dicarbonitrile

1,4,4-trimethyl-2,6-diphenylpyridine-3,5-dicarbonitrile (PubChem CID 628258) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 1,4,4-trimethyl-2,6-diphenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name1,4,4-trimethyl-2,6-diphenylpyridine-3,5-dicarbonitrile
PubChem CID628258
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name1,4,4-trimethyl-2,6-diphenylpyridine-3,5-dicarbonitrile
SMILESCN1C(c2ccccc2)=C(C#N)C(C)(C)C(C#N)=C1c1ccccc1
InChIInChI=1S/C22H19N3/c1-22(2)18(14-23)20(16-10-6-4-7-11-16)25(3)21(19(22)15-24)17-12-8-5-9-13-17/h4-13H,1-3H3
InChIKeyDAJLZSAGPPAXFO-UHFFFAOYSA-N
XLogP4.83
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,4,4-trimethyl-2,6-diphenylpyridine-3,5-dicarbonitrile 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

1,2-dimethyl-3-phenylazirine
CID 45088049
3,3,4-trimethyl-7-oxo-5-phenyl-2H-1,4-oxazepine-6-carbonitrile
CID 15371832
bis(acetonitrile);1,1'-biphenyl
CID 175366291
5-methanethioyl-1-methyl-2-phenylpyrrole-3-carbonitrile
CID 142275910
3,6-diphenylbenzene-1,2-dicarbonitrile
CID 10945840
5-bromo-1-methyl-4-phenylpyrrole-2-carbonitrile
CID 164523372
2-methyl-3,3-diphenyl-1,2-oxazole-4,5-dicarbonitrile
CID 15830924
2,4-diphenyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
CID 628061
1,3'-dimethyl-2'-phenylspiro[1,3-diazinane-5,1'-indene]-2,4,6-trione
CID 132558118
1,3,3-trimethyl-5-phenylpyrrol-2-one
CID 132938819
2-(1-methylpyrrol-2-yl)benzonitrile
CID 44606283
2,3-diamino-6-phenylbenzonitrile
CID 59218657

Frequently Asked Questions

What is the IUPAC name of 1,4,4-trimethyl-2,6-diphenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 1,4,4-trimethyl-2,6-diphenylpyridine-3,5-dicarbonitrile (CID 628258) is 1,4,4-trimethyl-2,6-diphenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 1,4,4-trimethyl-2,6-diphenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 1,4,4-trimethyl-2,6-diphenylpyridine-3,5-dicarbonitrile is CN1C(c2ccccc2)=C(C#N)C(C)(C)C(C#N)=C1c1ccccc1.
What is the InChIKey of 1,4,4-trimethyl-2,6-diphenylpyridine-3,5-dicarbonitrile?
The InChIKey is DAJLZSAGPPAXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-22(2)18(14-23)20(16-10-6-4-7-11-16)25(3)21(19(22)15-24)17-12-8-5-9-13-17/h4-13H,1-3H3.
What are the key properties of 1,4,4-trimethyl-2,6-diphenylpyridine-3,5-dicarbonitrile?
1,4,4-trimethyl-2,6-diphenylpyridine-3,5-dicarbonitrile has a molecular weight of 325.42 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethyl-2,6-diphenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 628258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).