3,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide

C14H18Cl2N2O2 — CID 166024091

IUPAC3,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCCn1cc(NC(=O)C2CC(Cl)CC(Cl)C2)ccc1=O
InChIInChI=1S/C14H18Cl2N2O2/c1-2-18-8-12(3-4-13(18)19)17-14(20)9-5-10(15)7-11(16)6-9/h3-4,8-11H,2,5-7H2,1H3,(H,17,20)
InChIKeyNCLYZIFYVZURMC-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.82
Rot. Bonds3

About 3,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide

3,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 166024091) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 3,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
PubChem CID166024091
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name3,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCCn1cc(NC(=O)C2CC(Cl)CC(Cl)C2)ccc1=O
InChIInChI=1S/C14H18Cl2N2O2/c1-2-18-8-12(3-4-13(18)19)17-14(20)9-5-10(15)7-11(16)6-9/h3-4,8-11H,2,5-7H2,1H3,(H,17,20)
InChIKeyNCLYZIFYVZURMC-UHFFFAOYSA-N
XLogP2.82
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.82
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 3,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of 3,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide (CID 166024091) is 3,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide is CCn1cc(NC(=O)C2CC(Cl)CC(Cl)C2)ccc1=O.
What is the InChIKey of 3,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is NCLYZIFYVZURMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-2-18-8-12(3-4-13(18)19)17-14(20)9-5-10(15)7-11(16)6-9/h3-4,8-11H,2,5-7H2,1H3,(H,17,20).
What are the key properties of 3,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide?
3,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 317.22 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 166024091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).