2-(6-chloro-3-pyridinyl)-2-cyclohexylacetamide

C13H17ClN2O — CID 90219873

IUPAC2-(6-chloro-3-pyridinyl)-2-cyclohexylacetamide
SMILESNC(=O)C(c1ccc(Cl)nc1)C1CCCCC1
InChIInChI=1S/C13H17ClN2O/c14-11-7-6-10(8-16-11)12(13(15)17)9-4-2-1-3-5-9/h6-9,12H,1-5H2,(H2,15,17)
InChIKeyUVTGZXFHXWIOKR-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.88
Rot. Bonds3

About 2-(6-chloro-3-pyridinyl)-2-cyclohexylacetamide

2-(6-chloro-3-pyridinyl)-2-cyclohexylacetamide (PubChem CID 90219873) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-2-cyclohexylacetamide.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-2-cyclohexylacetamide
PubChem CID90219873
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-(6-chloro-3-pyridinyl)-2-cyclohexylacetamide
SMILESNC(=O)C(c1ccc(Cl)nc1)C1CCCCC1
InChIInChI=1S/C13H17ClN2O/c14-11-7-6-10(8-16-11)12(13(15)17)9-4-2-1-3-5-9/h6-9,12H,1-5H2,(H2,15,17)
InChIKeyUVTGZXFHXWIOKR-UHFFFAOYSA-N
XLogP2.88
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.88
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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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-2-cyclohexylacetamide?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-2-cyclohexylacetamide (CID 90219873) is 2-(6-chloro-3-pyridinyl)-2-cyclohexylacetamide.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-2-cyclohexylacetamide?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-2-cyclohexylacetamide is NC(=O)C(c1ccc(Cl)nc1)C1CCCCC1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-2-cyclohexylacetamide?
The InChIKey is UVTGZXFHXWIOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-11-7-6-10(8-16-11)12(13(15)17)9-4-2-1-3-5-9/h6-9,12H,1-5H2,(H2,15,17).
What are the key properties of 2-(6-chloro-3-pyridinyl)-2-cyclohexylacetamide?
2-(6-chloro-3-pyridinyl)-2-cyclohexylacetamide has a molecular weight of 252.74 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-2-cyclohexylacetamide is sourced from PubChem (CID 90219873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).