2-(5-bromo-2-oxo-1-pyridinyl)-N-pentan-3-ylacetamide

C12H17BrN2O2 — CID 47004415

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C12H17BrN2O2/c1-3-10(4-2)14-11(16)8-15-7-9(13)5-6-12(15)17/h5-7,10H,3-4,8H2,1-2H3,(H,14,16)
InChIKeyBGZCQQZXKGPLIW-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.92
Rot. Bonds5

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-pentan-3-ylacetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-pentan-3-ylacetamide (PubChem CID 47004415) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-pentan-3-ylacetamide
PubChem CID47004415
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C12H17BrN2O2/c1-3-10(4-2)14-11(16)8-15-7-9(13)5-6-12(15)17/h5-7,10H,3-4,8H2,1-2H3,(H,14,16)
InChIKeyBGZCQQZXKGPLIW-UHFFFAOYSA-N
XLogP1.92
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-2-oxo-1-pyridinyl)-N-pentan-3-ylacetamide 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-pentan-3-ylacetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-pentan-3-ylacetamide (CID 47004415) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-pentan-3-ylacetamide?
The InChIKey is BGZCQQZXKGPLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-3-10(4-2)14-11(16)8-15-7-9(13)5-6-12(15)17/h5-7,10H,3-4,8H2,1-2H3,(H,14,16).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-pentan-3-ylacetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-pentan-3-ylacetamide has a molecular weight of 301.18 g/mol, XLogP of 1.92, 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-pentan-3-ylacetamide is sourced from PubChem (CID 47004415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).