2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dimethylcyclohexyl)acetamide

C15H21BrN2O2 — CID 4786642

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)Cn2cc(Br)ccc2=O)C1C
InChIInChI=1S/C15H21BrN2O2/c1-10-4-3-5-13(11(10)2)17-14(19)9-18-8-12(16)6-7-15(18)20/h6-8,10-11,13H,3-5,9H2,1-2H3,(H,17,19)
InChIKeyJXFJKPHOWQWLAV-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.55
Rot. Bonds3

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dimethylcyclohexyl)acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dimethylcyclohexyl)acetamide (PubChem CID 4786642) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dimethylcyclohexyl)acetamide
PubChem CID4786642
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)Cn2cc(Br)ccc2=O)C1C
InChIInChI=1S/C15H21BrN2O2/c1-10-4-3-5-13(11(10)2)17-14(19)9-18-8-12(16)6-7-15(18)20/h6-8,10-11,13H,3-5,9H2,1-2H3,(H,17,19)
InChIKeyJXFJKPHOWQWLAV-UHFFFAOYSA-N
XLogP2.55
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dimethylcyclohexyl)acetamide (CID 4786642) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dimethylcyclohexyl)acetamide is CC1CCCC(NC(=O)Cn2cc(Br)ccc2=O)C1C.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dimethylcyclohexyl)acetamide?
The InChIKey is JXFJKPHOWQWLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10-4-3-5-13(11(10)2)17-14(19)9-18-8-12(16)6-7-15(18)20/h6-8,10-11,13H,3-5,9H2,1-2H3,(H,17,19).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dimethylcyclohexyl)acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dimethylcyclohexyl)acetamide has a molecular weight of 341.25 g/mol, XLogP of 2.55, 3 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-(2,3-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 4786642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).