2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide

C13H17BrN2O3 — CID 35266239

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1cc(Br)ccc1=O)[C@@H]1CCCO1
InChIInChI=1S/C13H17BrN2O3/c1-9(11-3-2-6-19-11)15-12(17)8-16-7-10(14)4-5-13(16)18/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,15,17)/t9-,11+/m1/s1
InChIKeyVAUMYJZHMVTSGH-KOLCDFICSA-N
MW329.19 g/mol
LogP1.29
Rot. Bonds4

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

2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide (PubChem CID 35266239) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
PubChem CID35266239
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1cc(Br)ccc1=O)[C@@H]1CCCO1
InChIInChI=1S/C13H17BrN2O3/c1-9(11-3-2-6-19-11)15-12(17)8-16-7-10(14)4-5-13(16)18/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,15,17)/t9-,11+/m1/s1
InChIKeyVAUMYJZHMVTSGH-KOLCDFICSA-N
XLogP1.29
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide with MolForge

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Related Compounds

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 95158173
2-(4-bromophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 40636423
N-[1-(oxolan-2-yl)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979664
2-(4-aminopyrazol-1-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533738
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 35236674
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 35236684
2-(4-bromo-2-chlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 2970318
N-[1-(oxolan-2-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 51079408
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 94414346
2-hydroxy-N-[1-(oxan-2-yl)ethyl]acetamide
CID 130749825
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
2-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533745

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide (CID 35266239) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide is C[C@@H](NC(=O)Cn1cc(Br)ccc1=O)[C@@H]1CCCO1.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide?
The InChIKey is VAUMYJZHMVTSGH-KOLCDFICSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-9(11-3-2-6-19-11)15-12(17)8-16-7-10(14)4-5-13(16)18/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,15,17)/t9-,11+/m1/s1.
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide has a molecular weight of 329.19 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 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-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide is sourced from PubChem (CID 35266239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).