4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide

C14H19ClN2O2 — CID 166024158

IUPAC4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCCn1cc(NC(=O)C2CCC(Cl)CC2)ccc1=O
InChIInChI=1S/C14H19ClN2O2/c1-2-17-9-12(7-8-13(17)18)16-14(19)10-3-5-11(15)6-4-10/h7-11H,2-6H2,1H3,(H,16,19)
InChIKeyZLOXHPYIBQINTC-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.60
Rot. Bonds3

About 4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide

4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 166024158) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
PubChem CID166024158
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCCn1cc(NC(=O)C2CCC(Cl)CC2)ccc1=O
InChIInChI=1S/C14H19ClN2O2/c1-2-17-9-12(7-8-13(17)18)16-14(19)10-3-5-11(15)6-4-10/h7-11H,2-6H2,1H3,(H,16,19)
InChIKeyZLOXHPYIBQINTC-UHFFFAOYSA-N
XLogP2.60
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide (CID 166024158) is 4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide is CCn1cc(NC(=O)C2CCC(Cl)CC2)ccc1=O.
What is the InChIKey of 4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is ZLOXHPYIBQINTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-17-9-12(7-8-13(17)18)16-14(19)10-3-5-11(15)6-4-10/h7-11H,2-6H2,1H3,(H,16,19).
What are the key properties of 4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide?
4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 166024158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).