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

C21H18N4O — CID 109243164

IUPAC5-(2-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cncc(Nc2ccccc2C#N)c1
InChIInChI=1S/C21H18N4O/c1-14-6-5-7-15(2)20(14)25-21(26)17-10-18(13-23-12-17)24-19-9-4-3-8-16(19)11-22/h3-10,12-13,24H,1-2H3,(H,25,26)
InChIKeyYGKCUJOAJYGNBY-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.57
Rot. Bonds4

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

5-(2-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 109243164) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-(2-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
PubChem CID109243164
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name5-(2-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cncc(Nc2ccccc2C#N)c1
InChIInChI=1S/C21H18N4O/c1-14-6-5-7-15(2)20(14)25-21(26)17-10-18(13-23-12-17)24-19-9-4-3-8-16(19)11-22/h3-10,12-13,24H,1-2H3,(H,25,26)
InChIKeyYGKCUJOAJYGNBY-UHFFFAOYSA-N
XLogP4.57
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-cyanoanilino)-N-(2,6-dimethylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide (CID 109243164) is 5-(2-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide is Cc1cccc(C)c1NC(=O)c1cncc(Nc2ccccc2C#N)c1.
What is the InChIKey of 5-(2-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is YGKCUJOAJYGNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-6-5-7-15(2)20(14)25-21(26)17-10-18(13-23-12-17)24-19-9-4-3-8-16(19)11-22/h3-10,12-13,24H,1-2H3,(H,25,26).
What are the key properties of 5-(2-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide?
5-(2-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109243164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).