2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxy-4-methylpentyl)acetamide

C13H19BrN2O3 — CID 103862257

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxy-4-methylpentyl)acetamide
SMILESCC(CO)CCCNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C13H19BrN2O3/c1-10(9-17)3-2-6-15-12(18)8-16-7-11(14)4-5-13(16)19/h4-5,7,10,17H,2-3,6,8-9H2,1H3,(H,15,18)
InChIKeyQEAIDBDAZBAYFO-UHFFFAOYSA-N
MW331.21 g/mol
LogP1.14
Rot. Bonds7

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxy-4-methylpentyl)acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxy-4-methylpentyl)acetamide (PubChem CID 103862257) has the molecular formula C13H19BrN2O3 and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxy-4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxy-4-methylpentyl)acetamide
PubChem CID103862257
Molecular FormulaC13H19BrN2O3
Molecular Weight331.21 g/mol
Exact Mass330.06
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxy-4-methylpentyl)acetamide
SMILESCC(CO)CCCNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C13H19BrN2O3/c1-10(9-17)3-2-6-15-12(18)8-16-7-11(14)4-5-13(16)19/h4-5,7,10,17H,2-3,6,8-9H2,1H3,(H,15,18)
InChIKeyQEAIDBDAZBAYFO-UHFFFAOYSA-N
XLogP1.14
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxy-4-methylpentyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-bromo-1-[[(2S)-2-hydroxycyclobutyl]methyl]-2-oxo-3-pyridinyl]acetamide
CID 169032830
5-Bromo-1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 43430823
2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]acetamide
CID 47041999
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]acetamide
CID 52487592
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]acetamide
CID 52487594
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61245774
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopropyl-2-hydroxyethyl)acetamide
CID 63295274
2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037127
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 65834782
2-(5-bromo-2-oxo-1-pyridinyl)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 65925771
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(3-hydroxycyclobutyl)methyl]acetamide
CID 65972636
2-(5-bromo-2-oxo-1-pyridinyl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108582

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxy-4-methylpentyl)acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxy-4-methylpentyl)acetamide (CID 103862257) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxy-4-methylpentyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxy-4-methylpentyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxy-4-methylpentyl)acetamide is CC(CO)CCCNC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxy-4-methylpentyl)acetamide?
The InChIKey is QEAIDBDAZBAYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3/c1-10(9-17)3-2-6-15-12(18)8-16-7-11(14)4-5-13(16)19/h4-5,7,10,17H,2-3,6,8-9H2,1H3,(H,15,18).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxy-4-methylpentyl)acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxy-4-methylpentyl)acetamide has a molecular weight of 331.21 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxy-4-methylpentyl)acetamide is sourced from PubChem (CID 103862257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).