2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide

C13H16Cl2N2O — CID 43235774

IUPAC2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1cc(Cl)nc(Cl)c1)C1CCCCC1
InChIInChI=1S/C13H16Cl2N2O/c1-17(10-5-3-2-4-6-10)13(18)9-7-11(14)16-12(15)8-9/h7-8,10H,2-6H2,1H3
InChIKeyYMEXDRGOEULIJW-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.79
Rot. Bonds2

About 2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide

2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide (PubChem CID 43235774) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide
PubChem CID43235774
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1cc(Cl)nc(Cl)c1)C1CCCCC1
InChIInChI=1S/C13H16Cl2N2O/c1-17(10-5-3-2-4-6-10)13(18)9-7-11(14)16-12(15)8-9/h7-8,10H,2-6H2,1H3
InChIKeyYMEXDRGOEULIJW-UHFFFAOYSA-N
XLogP3.79
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 61044792
2-chloro-N-cyclopropyl-6-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62243916
2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide
CID 43410879
3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide
CID 43409239
3-amino-4,5-dichloro-N-cycloheptyl-N-methylbenzamide
CID 61101939
2-amino-6-chloro-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 62155383
2-chloro-N-methyl-6-(methylamino)-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 62179291
3-chloro-N-cycloheptyl-4-iodo-N-methylbenzamide
CID 103221242
3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide
CID 65388124
4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide
CID 55158665
2-chloro-6-(ethylamino)-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 62179292
7-chloro-N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide
CID 30756448

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide (CID 43235774) is 2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide is CN(C(=O)c1cc(Cl)nc(Cl)c1)C1CCCCC1.
What is the InChIKey of 2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide?
The InChIKey is YMEXDRGOEULIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-17(10-5-3-2-4-6-10)13(18)9-7-11(14)16-12(15)8-9/h7-8,10H,2-6H2,1H3.
What are the key properties of 2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide?
2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide has a molecular weight of 287.19 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 43235774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).