2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide

C17H25BrN2O2 — CID 55763764

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide
SMILESCC1CCC(C(C)C)C(NC(=O)Cn2cc(Br)ccc2=O)C1
InChIInChI=1S/C17H25BrN2O2/c1-11(2)14-6-4-12(3)8-15(14)19-16(21)10-20-9-13(18)5-7-17(20)22/h5,7,9,11-12,14-15H,4,6,8,10H2,1-3H3,(H,19,21)
InChIKeyRFIFAAZRIOFKQY-UHFFFAOYSA-N
MW369.30 g/mol
LogP3.19
Rot. Bonds4

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide (PubChem CID 55763764) has the molecular formula C17H25BrN2O2 and a molecular weight of 369.30 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide
PubChem CID55763764
Molecular FormulaC17H25BrN2O2
Molecular Weight369.30 g/mol
Exact Mass368.11
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide
SMILESCC1CCC(C(C)C)C(NC(=O)Cn2cc(Br)ccc2=O)C1
InChIInChI=1S/C17H25BrN2O2/c1-11(2)14-6-4-12(3)8-15(14)19-16(21)10-20-9-13(18)5-7-17(20)22/h5,7,9,11-12,14-15H,4,6,8,10H2,1-3H3,(H,19,21)
InChIKeyRFIFAAZRIOFKQY-UHFFFAOYSA-N
XLogP3.19
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide (CID 55763764) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide is CC1CCC(C(C)C)C(NC(=O)Cn2cc(Br)ccc2=O)C1.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide?
The InChIKey is RFIFAAZRIOFKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2/c1-11(2)14-6-4-12(3)8-15(14)19-16(21)10-20-9-13(18)5-7-17(20)22/h5,7,9,11-12,14-15H,4,6,8,10H2,1-3H3,(H,19,21).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide has a molecular weight of 369.30 g/mol, XLogP of 3.19, 4 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-(5-methyl-2-propan-2-ylcyclohexyl)acetamide is sourced from PubChem (CID 55763764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).