6-chloro-N-(4-ethylcyclohexyl)pyridine-2-carboxamide

C14H19ClN2O — CID 62232953

IUPAC6-chloro-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
SMILESCCC1CCC(NC(=O)c2cccc(Cl)n2)CC1
InChIInChI=1S/C14H19ClN2O/c1-2-10-6-8-11(9-7-10)16-14(18)12-4-3-5-13(15)17-12/h3-5,10-11H,2,6-9H2,1H3,(H,16,18)
InChIKeyKITKUPUJKUWBFG-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.43
Rot. Bonds3

About 6-chloro-N-(4-ethylcyclohexyl)pyridine-2-carboxamide

6-chloro-N-(4-ethylcyclohexyl)pyridine-2-carboxamide (PubChem CID 62232953) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 6-chloro-N-(4-ethylcyclohexyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
PubChem CID62232953
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name6-chloro-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
SMILESCCC1CCC(NC(=O)c2cccc(Cl)n2)CC1
InChIInChI=1S/C14H19ClN2O/c1-2-10-6-8-11(9-7-10)16-14(18)12-4-3-5-13(15)17-12/h3-5,10-11H,2,6-9H2,1H3,(H,16,18)
InChIKeyKITKUPUJKUWBFG-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.43
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

6-chloro-N-cyclobutylpyridine-2-carboxamide
CID 62416543
ethyl 4-[(6-chloropyridine-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 62235259
6-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
CID 62233843
1-[(6-chloropyridine-2-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 62240588
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
6-N-butan-2-yl-2-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093809
6-chloro-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 62233324
N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733318
2-(2,6-dichlorophenyl)-N-(4-ethylcyclohexyl)acetamide
CID 22076137
6-chloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide
CID 55069173
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
2-N-(3-chlorophenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093921

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-ethylcyclohexyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(4-ethylcyclohexyl)pyridine-2-carboxamide (CID 62232953) is 6-chloro-N-(4-ethylcyclohexyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-ethylcyclohexyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(4-ethylcyclohexyl)pyridine-2-carboxamide is CCC1CCC(NC(=O)c2cccc(Cl)n2)CC1.
What is the InChIKey of 6-chloro-N-(4-ethylcyclohexyl)pyridine-2-carboxamide?
The InChIKey is KITKUPUJKUWBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-2-10-6-8-11(9-7-10)16-14(18)12-4-3-5-13(15)17-12/h3-5,10-11H,2,6-9H2,1H3,(H,16,18).
What are the key properties of 6-chloro-N-(4-ethylcyclohexyl)pyridine-2-carboxamide?
6-chloro-N-(4-ethylcyclohexyl)pyridine-2-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-ethylcyclohexyl)pyridine-2-carboxamide is sourced from PubChem (CID 62232953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).