5-cyano-4-(2,4-dichlorophenyl)-N,6-dimethylpyridine-2-carboxamide

C15H11Cl2N3O — CID 53322529

IUPAC5-cyano-4-(2,4-dichlorophenyl)-N,6-dimethylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(Cl)cc2Cl)c(C#N)c(C)n1
InChIInChI=1S/C15H11Cl2N3O/c1-8-12(7-18)11(6-14(20-8)15(21)19-2)10-4-3-9(16)5-13(10)17/h3-6H,1-2H3,(H,19,21)
InChIKeyRRSGBFQSQKFTRY-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.60
Rot. Bonds2

About 5-cyano-4-(2,4-dichlorophenyl)-N,6-dimethylpyridine-2-carboxamide

5-cyano-4-(2,4-dichlorophenyl)-N,6-dimethylpyridine-2-carboxamide (PubChem CID 53322529) has the molecular formula C15H11Cl2N3O and a molecular weight of 320.18 g/mol. Its IUPAC name is 5-cyano-4-(2,4-dichlorophenyl)-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-4-(2,4-dichlorophenyl)-N,6-dimethylpyridine-2-carboxamide
PubChem CID53322529
Molecular FormulaC15H11Cl2N3O
Molecular Weight320.18 g/mol
Exact Mass319.03
IUPAC Name5-cyano-4-(2,4-dichlorophenyl)-N,6-dimethylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(Cl)cc2Cl)c(C#N)c(C)n1
InChIInChI=1S/C15H11Cl2N3O/c1-8-12(7-18)11(6-14(20-8)15(21)19-2)10-4-3-9(16)5-13(10)17/h3-6H,1-2H3,(H,19,21)
InChIKeyRRSGBFQSQKFTRY-UHFFFAOYSA-N
XLogP3.60
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-cyano-4-(2,4-dichlorophenyl)-N,6-dimethylpyridine-2-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-cyano-4-(2,4-dichlorophenyl)-N,6-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-cyano-4-(2,4-dichlorophenyl)-N,6-dimethylpyridine-2-carboxamide (CID 53322529) is 5-cyano-4-(2,4-dichlorophenyl)-N,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-4-(2,4-dichlorophenyl)-N,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-cyano-4-(2,4-dichlorophenyl)-N,6-dimethylpyridine-2-carboxamide is CNC(=O)c1cc(-c2ccc(Cl)cc2Cl)c(C#N)c(C)n1.
What is the InChIKey of 5-cyano-4-(2,4-dichlorophenyl)-N,6-dimethylpyridine-2-carboxamide?
The InChIKey is RRSGBFQSQKFTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O/c1-8-12(7-18)11(6-14(20-8)15(21)19-2)10-4-3-9(16)5-13(10)17/h3-6H,1-2H3,(H,19,21).
What are the key properties of 5-cyano-4-(2,4-dichlorophenyl)-N,6-dimethylpyridine-2-carboxamide?
5-cyano-4-(2,4-dichlorophenyl)-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 320.18 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-4-(2,4-dichlorophenyl)-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 53322529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).