5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide

C22H20N4O — CID 109243920

IUPAC5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cncc(Nc3cccc(C#N)c3)c2)c(C)c1
InChIInChI=1S/C22H20N4O/c1-14-7-15(2)21(16(3)8-14)26-22(27)18-10-20(13-24-12-18)25-19-6-4-5-17(9-19)11-23/h4-10,12-13,25H,1-3H3,(H,26,27)
InChIKeySNPMUBBLDOZWLA-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.87
Rot. Bonds4

About 5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide

5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide (PubChem CID 109243920) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
PubChem CID109243920
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cncc(Nc3cccc(C#N)c3)c2)c(C)c1
InChIInChI=1S/C22H20N4O/c1-14-7-15(2)21(16(3)8-14)26-22(27)18-10-20(13-24-12-18)25-19-6-4-5-17(9-19)11-23/h4-10,12-13,25H,1-3H3,(H,26,27)
InChIKeySNPMUBBLDOZWLA-UHFFFAOYSA-N
XLogP4.87
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide 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

N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245862
N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245786
5-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109245875
2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109177129
5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223348
5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243485
3-[(5-methyl-3-pyridinyl)amino]benzonitrile
CID 71051336
5-(2-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 109243164
2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109316241
5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109198246
N-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109246061
N-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109243122

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide (CID 109243920) is 5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide is Cc1cc(C)c(NC(=O)c2cncc(Nc3cccc(C#N)c3)c2)c(C)c1.
What is the InChIKey of 5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide?
The InChIKey is SNPMUBBLDOZWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-14-7-15(2)21(16(3)8-14)26-22(27)18-10-20(13-24-12-18)25-19-6-4-5-17(9-19)11-23/h4-10,12-13,25H,1-3H3,(H,26,27).
What are the key properties of 5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide?
5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109243920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).