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

C21H18N4O — CID 109242712

IUPAC5-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(Nc3ccccc3C#N)c2)c(C)c1
InChIInChI=1S/C21H18N4O/c1-14-7-8-19(15(2)9-14)25-21(26)17-10-18(13-23-12-17)24-20-6-4-3-5-16(20)11-22/h3-10,12-13,24H,1-2H3,(H,25,26)
InChIKeyBGGMPRYZBVRWIF-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.57
Rot. Bonds4

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

5-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 109242712) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
PubChem CID109242712
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name5-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(Nc3ccccc3C#N)c2)c(C)c1
InChIInChI=1S/C21H18N4O/c1-14-7-8-19(15(2)9-14)25-21(26)17-10-18(13-23-12-17)24-20-6-4-3-5-16(20)11-22/h3-10,12-13,24H,1-2H3,(H,25,26)
InChIKeyBGGMPRYZBVRWIF-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-(2,4-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

Related Compounds

N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241817
5-(2-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 109243164
N-(2-cyanophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109245547
2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266440
N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyridine-3-carboxamide
CID 109245887
methyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109242696
ethyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109242711
6-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127570
5-(2-cyanoanilino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide
CID 109243961
5-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242709
N-(2-cyanophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232741
N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109242670

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide (CID 109242712) is 5-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cncc(Nc3ccccc3C#N)c2)c(C)c1.
What is the InChIKey of 5-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is BGGMPRYZBVRWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-7-8-19(15(2)9-14)25-21(26)17-10-18(13-23-12-17)24-20-6-4-3-5-16(20)11-22/h3-10,12-13,24H,1-2H3,(H,25,26).
What are the key properties of 5-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide?
5-(2-cyanoanilino)-N-(2,4-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-(2,4-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109242712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).