2-(5-bromo-2-oxo-1-pyridinyl)-N-propylacetamide

C10H13BrN2O2 — CID 26217357

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-propylacetamide
SMILESCCCNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C10H13BrN2O2/c1-2-5-12-9(14)7-13-6-8(11)3-4-10(13)15/h3-4,6H,2,5,7H2,1H3,(H,12,14)
InChIKeyLRJILTLFMJPBFL-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.14
Rot. Bonds4

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-propylacetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-propylacetamide (PubChem CID 26217357) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-propylacetamide
PubChem CID26217357
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-propylacetamide
SMILESCCCNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C10H13BrN2O2/c1-2-5-12-9(14)7-13-6-8(11)3-4-10(13)15/h3-4,6H,2,5,7H2,1H3,(H,12,14)
InChIKeyLRJILTLFMJPBFL-UHFFFAOYSA-N
XLogP1.14
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-propylacetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-propylacetamide (CID 26217357) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-propylacetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-propylacetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-propylacetamide is CCCNC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-propylacetamide?
The InChIKey is LRJILTLFMJPBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-2-5-12-9(14)7-13-6-8(11)3-4-10(13)15/h3-4,6H,2,5,7H2,1H3,(H,12,14).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-propylacetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-propylacetamide has a molecular weight of 273.13 g/mol, XLogP of 1.14, 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-propylacetamide is sourced from PubChem (CID 26217357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).