5,6-dichloro-N-(3,3-dimethylcyclopentyl)pyridine-3-carboxamide

C13H16Cl2N2O — CID 113345464

IUPAC5,6-dichloro-N-(3,3-dimethylcyclopentyl)pyridine-3-carboxamide
SMILESCC1(C)CCC(NC(=O)c2cnc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H16Cl2N2O/c1-13(2)4-3-9(6-13)17-12(18)8-5-10(14)11(15)16-7-8/h5,7,9H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyJOYZLDQXYUVOGF-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.70
Rot. Bonds2

About 5,6-dichloro-N-(3,3-dimethylcyclopentyl)pyridine-3-carboxamide

5,6-dichloro-N-(3,3-dimethylcyclopentyl)pyridine-3-carboxamide (PubChem CID 113345464) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 5,6-dichloro-N-(3,3-dimethylcyclopentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(3,3-dimethylcyclopentyl)pyridine-3-carboxamide
PubChem CID113345464
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name5,6-dichloro-N-(3,3-dimethylcyclopentyl)pyridine-3-carboxamide
SMILESCC1(C)CCC(NC(=O)c2cnc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H16Cl2N2O/c1-13(2)4-3-9(6-13)17-12(18)8-5-10(14)11(15)16-7-8/h5,7,9H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyJOYZLDQXYUVOGF-UHFFFAOYSA-N
XLogP3.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(3,3-dimethylcyclopentyl)benzamide
CID 91506548
N-(3,3-dimethylcyclopentyl)-5-hydroxypyridine-3-carboxamide
CID 113345728
5,6-dichloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 54950034
5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 62897928
5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 64670220
5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629364
2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide
CID 115880901
5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide
CID 61367940
(4,4-dimethylcyclohexyl) 5,6-dichloropyridine-3-carboxylate
CID 114342667
4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide
CID 114540712
6-amino-5-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide
CID 115563972
5-chloro-N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridine-3-carboxamide
CID 83039415

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(3,3-dimethylcyclopentyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(3,3-dimethylcyclopentyl)pyridine-3-carboxamide (CID 113345464) is 5,6-dichloro-N-(3,3-dimethylcyclopentyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(3,3-dimethylcyclopentyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(3,3-dimethylcyclopentyl)pyridine-3-carboxamide is CC1(C)CCC(NC(=O)c2cnc(Cl)c(Cl)c2)C1.
What is the InChIKey of 5,6-dichloro-N-(3,3-dimethylcyclopentyl)pyridine-3-carboxamide?
The InChIKey is JOYZLDQXYUVOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-13(2)4-3-9(6-13)17-12(18)8-5-10(14)11(15)16-7-8/h5,7,9H,3-4,6H2,1-2H3,(H,17,18).
What are the key properties of 5,6-dichloro-N-(3,3-dimethylcyclopentyl)pyridine-3-carboxamide?
5,6-dichloro-N-(3,3-dimethylcyclopentyl)pyridine-3-carboxamide has a molecular weight of 287.19 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(3,3-dimethylcyclopentyl)pyridine-3-carboxamide is sourced from PubChem (CID 113345464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).