2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C15H19BrN2O2 — CID 26217339

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)NCCC1=CCCCC1
InChIInChI=1S/C15H19BrN2O2/c16-13-6-7-15(20)18(10-13)11-14(19)17-9-8-12-4-2-1-3-5-12/h4,6-7,10H,1-3,5,8-9,11H2,(H,17,19)
InChIKeySCICMSJDDVZVAL-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.62
Rot. Bonds5

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 26217339) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID26217339
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)NCCC1=CCCCC1
InChIInChI=1S/C15H19BrN2O2/c16-13-6-7-15(20)18(10-13)11-14(19)17-9-8-12-4-2-1-3-5-12/h4,6-7,10H,1-3,5,8-9,11H2,(H,17,19)
InChIKeySCICMSJDDVZVAL-UHFFFAOYSA-N
XLogP2.62
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 26217339) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is O=C(Cn1cc(Br)ccc1=O)NCCC1=CCCCC1.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is SCICMSJDDVZVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c16-13-6-7-15(20)18(10-13)11-14(19)17-9-8-12-4-2-1-3-5-12/h4,6-7,10H,1-3,5,8-9,11H2,(H,17,19).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 339.23 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 26217339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).