4,6-dichloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide

C13H16Cl2N2O — CID 159995696

IUPAC4,6-dichloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cnc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O/c1-8-2-4-9(5-3-8)17-13(18)10-7-16-12(15)6-11(10)14/h6-9H,2-5H2,1H3,(H,17,18)
InChIKeyWQYRWJFFHSCSDN-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.70
Rot. Bonds2

About 4,6-dichloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide

4,6-dichloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide (PubChem CID 159995696) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 4,6-dichloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
PubChem CID159995696
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name4,6-dichloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cnc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O/c1-8-2-4-9(5-3-8)17-13(18)10-7-16-12(15)6-11(10)14/h6-9H,2-5H2,1H3,(H,17,18)
InChIKeyWQYRWJFFHSCSDN-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-6-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 81225864
4-amino-6-chloro-N-cyclopropylpyridine-3-carboxamide
CID 156880832
4-chloro-N-(3,4-dimethylcyclohexyl)-6-methylpyridine-3-carboxamide
CID 81233008
5-chloro-2-(ethylamino)-N-(4-methylcyclohexyl)pyridine-4-carboxamide
CID 104983746
5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide
CID 16796108
4-chloro-6-methyl-N-(thian-4-yl)pyridine-3-carboxamide
CID 115885297
5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
CID 102795231
2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 21487786
5-chloro-6-(methylamino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 55042305
2-chloro-N-(4-methylcyclohexyl)furan-3-carboxamide
CID 106685258
2-chloro-N-(4-methylcyclohexyl)-4-nitrobenzamide
CID 4611426
2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
CID 102796878

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide?
The IUPAC name of 4,6-dichloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide (CID 159995696) is 4,6-dichloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dichloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for 4,6-dichloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide is CC1CCC(NC(=O)c2cnc(Cl)cc2Cl)CC1.
What is the InChIKey of 4,6-dichloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide?
The InChIKey is WQYRWJFFHSCSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-8-2-4-9(5-3-8)17-13(18)10-7-16-12(15)6-11(10)14/h6-9H,2-5H2,1H3,(H,17,18).
What are the key properties of 4,6-dichloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide?
4,6-dichloro-N-(4-methylcyclohexyl)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 4,6-dichloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 159995696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).