2,6-dichloro-N-cyclohexylpyridine-4-carboxamide

C12H14Cl2N2O — CID 26719449

IUPAC2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H14Cl2N2O/c13-10-6-8(7-11(14)16-10)12(17)15-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,15,17)
InChIKeyOOMYBPFCFWFWJO-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.45
Rot. Bonds2

About 2,6-dichloro-N-cyclohexylpyridine-4-carboxamide

2,6-dichloro-N-cyclohexylpyridine-4-carboxamide (PubChem CID 26719449) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 2,6-dichloro-N-cyclohexylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
PubChem CID26719449
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H14Cl2N2O/c13-10-6-8(7-11(14)16-10)12(17)15-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,15,17)
InChIKeyOOMYBPFCFWFWJO-UHFFFAOYSA-N
XLogP3.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.45
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

2-chloro-N-cycloheptyl-6-(methylamino)pyridine-4-carboxamide
CID 62165625
2-chloro-N-cycloheptyl-6-methoxypyridine-4-carboxamide
CID 84580873
2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide
CID 114545578
N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide
CID 61042495
2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide
CID 103860531
2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide
CID 60734326
3,5-diamino-N-cyclooctylbenzamide
CID 61092511
3-amino-4,5-dichloro-N-cyclooctylbenzamide
CID 61090105
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,6-dichloropyridine-4-carboxamide
CID 112731766
2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide
CID 79005722
3-chloro-N-cyclopentyl-5-methylbenzamide
CID 80948177
2-amino-6-chloro-N-(oxan-3-yl)pyridine-4-carboxamide
CID 55190561

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-cyclohexylpyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-cyclohexylpyridine-4-carboxamide (CID 26719449) is 2,6-dichloro-N-cyclohexylpyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-cyclohexylpyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-cyclohexylpyridine-4-carboxamide is O=C(NC1CCCCC1)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-cyclohexylpyridine-4-carboxamide?
The InChIKey is OOMYBPFCFWFWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c13-10-6-8(7-11(14)16-10)12(17)15-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,15,17).
What are the key properties of 2,6-dichloro-N-cyclohexylpyridine-4-carboxamide?
2,6-dichloro-N-cyclohexylpyridine-4-carboxamide has a molecular weight of 273.16 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-cyclohexylpyridine-4-carboxamide is sourced from PubChem (CID 26719449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).