5,6-dichloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide

C11H13Cl2N3O — CID 54950034

IUPAC5,6-dichloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2cnc(Cl)c(Cl)c2)C1
InChIInChI=1S/C11H13Cl2N3O/c1-16-3-2-8(6-16)15-11(17)7-4-9(12)10(13)14-5-7/h4-5,8H,2-3,6H2,1H3,(H,15,17)
InChIKeyUFEVUEMPVHARJX-UHFFFAOYSA-N
MW274.15 g/mol
LogP1.82
Rot. Bonds2

About 5,6-dichloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide

5,6-dichloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide (PubChem CID 54950034) has the molecular formula C11H13Cl2N3O and a molecular weight of 274.15 g/mol. Its IUPAC name is 5,6-dichloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
PubChem CID54950034
Molecular FormulaC11H13Cl2N3O
Molecular Weight274.15 g/mol
Exact Mass273.04
IUPAC Name5,6-dichloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2cnc(Cl)c(Cl)c2)C1
InChIInChI=1S/C11H13Cl2N3O/c1-16-3-2-8(6-16)15-11(17)7-4-9(12)10(13)14-5-7/h4-5,8H,2-3,6H2,1H3,(H,15,17)
InChIKeyUFEVUEMPVHARJX-UHFFFAOYSA-N
XLogP1.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,6-dichloro-N-(1-methylpyrrolidin-3-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

5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 64670220
6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 47375161
5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 62180970
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5,6-dichloropyridine-3-carboxamide
CID 78968147
5,6-dichloro-N-(3,3-dimethylcyclopentyl)pyridine-3-carboxamide
CID 113345464
4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 63185966
3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110473062
5-amino-2-chloro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949514
5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 62897928
3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 63185967
2-amino-4-chloro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949515
3-chloro-N-(1-methylpiperidin-3-yl)benzamide
CID 77452165

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide (CID 54950034) is 5,6-dichloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide is CN1CCC(NC(=O)c2cnc(Cl)c(Cl)c2)C1.
What is the InChIKey of 5,6-dichloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide?
The InChIKey is UFEVUEMPVHARJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O/c1-16-3-2-8(6-16)15-11(17)7-4-9(12)10(13)14-5-7/h4-5,8H,2-3,6H2,1H3,(H,15,17).
What are the key properties of 5,6-dichloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide?
5,6-dichloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide has a molecular weight of 274.15 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 54950034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).