2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxypropyl)-N-methylacetamide

C11H15BrN2O3 — CID 62334244

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxypropyl)-N-methylacetamide
SMILESCC(O)CN(C)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C11H15BrN2O3/c1-8(15)5-13(2)11(17)7-14-6-9(12)3-4-10(14)16/h3-4,6,8,15H,5,7H2,1-2H3
InChIKeyXPFMWFAWPPIGSY-UHFFFAOYSA-N
MW303.16 g/mol
LogP0.45
Rot. Bonds4

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxypropyl)-N-methylacetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxypropyl)-N-methylacetamide (PubChem CID 62334244) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxypropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxypropyl)-N-methylacetamide
PubChem CID62334244
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxypropyl)-N-methylacetamide
SMILESCC(O)CN(C)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C11H15BrN2O3/c1-8(15)5-13(2)11(17)7-14-6-9(12)3-4-10(14)16/h3-4,6,8,15H,5,7H2,1-2H3
InChIKeyXPFMWFAWPPIGSY-UHFFFAOYSA-N
XLogP0.45
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-oxo-1-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103723268
2-(5-bromo-2-oxo-1-pyridinyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 103770135
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103857275
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107482952
5-Bromo-1-(2-hydroxypropyl)pyridin-2-one
CID 60884691
1-(3-Amino-2-hydroxypropyl)-5-bromopyridin-2-one
CID 20118985
1-[(2R)-3-amino-2-hydroxypropyl]-5-bromopyridin-2-one
CID 28150309
1-[(2S)-3-amino-2-hydroxypropyl]-5-bromopyridin-2-one
CID 28150311
5-Bromo-1-[3-(ethylamino)-2-hydroxypropyl]pyridin-2-one
CID 43166001
5-Bromo-1-[2-hydroxy-3-(methylamino)propyl]pyridin-2-one
CID 43187976
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetic acid
CID 43245240
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)acetamide
CID 43427912

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxypropyl)-N-methylacetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxypropyl)-N-methylacetamide (CID 62334244) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxypropyl)-N-methylacetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxypropyl)-N-methylacetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxypropyl)-N-methylacetamide is CC(O)CN(C)C(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxypropyl)-N-methylacetamide?
The InChIKey is XPFMWFAWPPIGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-8(15)5-13(2)11(17)7-14-6-9(12)3-4-10(14)16/h3-4,6,8,15H,5,7H2,1-2H3.
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxypropyl)-N-methylacetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxypropyl)-N-methylacetamide has a molecular weight of 303.16 g/mol, XLogP of 0.45, 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-(2-hydroxypropyl)-N-methylacetamide is sourced from PubChem (CID 62334244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).