4-[[6-(2,4,6-trimethylanilino)-2-pyridinyl]amino]benzonitrile

C21H20N4 — CID 90134115

IUPAC4-[[6-(2,4,6-trimethylanilino)-2-pyridinyl]amino]benzonitrile
SMILESCc1cc(C)c(Nc2cccc(Nc3ccc(C#N)cc3)n2)c(C)c1
InChIInChI=1S/C21H20N4/c1-14-11-15(2)21(16(3)12-14)25-20-6-4-5-19(24-20)23-18-9-7-17(13-22)8-10-18/h4-12H,1-3H3,(H2,23,24,25)
InChIKeyAUINTDBSRITDSX-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.37
Rot. Bonds4

About 4-[[6-(2,4,6-trimethylanilino)-2-pyridinyl]amino]benzonitrile

4-[[6-(2,4,6-trimethylanilino)-2-pyridinyl]amino]benzonitrile (PubChem CID 90134115) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-[[6-(2,4,6-trimethylanilino)-2-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[6-(2,4,6-trimethylanilino)-2-pyridinyl]amino]benzonitrile
PubChem CID90134115
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC Name4-[[6-(2,4,6-trimethylanilino)-2-pyridinyl]amino]benzonitrile
SMILESCc1cc(C)c(Nc2cccc(Nc3ccc(C#N)cc3)n2)c(C)c1
InChIInChI=1S/C21H20N4/c1-14-11-15(2)21(16(3)12-14)25-20-6-4-5-19(24-20)23-18-9-7-17(13-22)8-10-18/h4-12H,1-3H3,(H2,23,24,25)
InChIKeyAUINTDBSRITDSX-UHFFFAOYSA-N
XLogP5.37
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[6-(2,4,6-trimethylanilino)-2-pyridinyl]amino]benzonitrile 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 4-[[6-(2,4,6-trimethylanilino)-2-pyridinyl]amino]benzonitrile?
The IUPAC name of 4-[[6-(2,4,6-trimethylanilino)-2-pyridinyl]amino]benzonitrile (CID 90134115) is 4-[[6-(2,4,6-trimethylanilino)-2-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 4-[[6-(2,4,6-trimethylanilino)-2-pyridinyl]amino]benzonitrile?
The canonical SMILES for 4-[[6-(2,4,6-trimethylanilino)-2-pyridinyl]amino]benzonitrile is Cc1cc(C)c(Nc2cccc(Nc3ccc(C#N)cc3)n2)c(C)c1.
What is the InChIKey of 4-[[6-(2,4,6-trimethylanilino)-2-pyridinyl]amino]benzonitrile?
The InChIKey is AUINTDBSRITDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-14-11-15(2)21(16(3)12-14)25-20-6-4-5-19(24-20)23-18-9-7-17(13-22)8-10-18/h4-12H,1-3H3,(H2,23,24,25).
What are the key properties of 4-[[6-(2,4,6-trimethylanilino)-2-pyridinyl]amino]benzonitrile?
4-[[6-(2,4,6-trimethylanilino)-2-pyridinyl]amino]benzonitrile has a molecular weight of 328.42 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2,4,6-trimethylanilino)-2-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 90134115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).