6-chloro-N-(2,5-dimethylpyrrol-1-yl)pyridine-3-carboxamide

C12H12ClN3O — CID 79101544

IUPAC6-chloro-N-(2,5-dimethylpyrrol-1-yl)pyridine-3-carboxamide
SMILESCc1ccc(C)n1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H12ClN3O/c1-8-3-4-9(2)16(8)15-12(17)10-5-6-11(13)14-7-10/h3-7H,1-2H3,(H,15,17)
InChIKeyUVWLPHKCZRQFTE-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.54
Rot. Bonds2

About 6-chloro-N-(2,5-dimethylpyrrol-1-yl)pyridine-3-carboxamide

6-chloro-N-(2,5-dimethylpyrrol-1-yl)pyridine-3-carboxamide (PubChem CID 79101544) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 6-chloro-N-(2,5-dimethylpyrrol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,5-dimethylpyrrol-1-yl)pyridine-3-carboxamide
PubChem CID79101544
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name6-chloro-N-(2,5-dimethylpyrrol-1-yl)pyridine-3-carboxamide
SMILESCc1ccc(C)n1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H12ClN3O/c1-8-3-4-9(2)16(8)15-12(17)10-5-6-11(13)14-7-10/h3-7H,1-2H3,(H,15,17)
InChIKeyUVWLPHKCZRQFTE-UHFFFAOYSA-N
XLogP2.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-(2,5-dimethylpyrrol-1-yl)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

6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 28880213
2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 43091866
5-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide
CID 79107296
6-chloro-N-(cyanomethyl)pyridine-3-carboxamide
CID 61248726
6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide
CID 46107107
6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47230453
6-chloro-N-(2-chloropyrimidin-5-yl)pyridine-3-carboxamide
CID 10125350
6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide
CID 91312921
6-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-carboxamide
CID 103769566
6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 22336258

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,5-dimethylpyrrol-1-yl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2,5-dimethylpyrrol-1-yl)pyridine-3-carboxamide (CID 79101544) is 6-chloro-N-(2,5-dimethylpyrrol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,5-dimethylpyrrol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2,5-dimethylpyrrol-1-yl)pyridine-3-carboxamide is Cc1ccc(C)n1NC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2,5-dimethylpyrrol-1-yl)pyridine-3-carboxamide?
The InChIKey is UVWLPHKCZRQFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-8-3-4-9(2)16(8)15-12(17)10-5-6-11(13)14-7-10/h3-7H,1-2H3,(H,15,17).
What are the key properties of 6-chloro-N-(2,5-dimethylpyrrol-1-yl)pyridine-3-carboxamide?
6-chloro-N-(2,5-dimethylpyrrol-1-yl)pyridine-3-carboxamide has a molecular weight of 249.70 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,5-dimethylpyrrol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 79101544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).