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

C13H19BrN2O3 — CID 54916519

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCO)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C13H19BrN2O3/c1-10(2)16(6-3-7-17)13(19)9-15-8-11(14)4-5-12(15)18/h4-5,8,10,17H,3,6-7,9H2,1-2H3
InChIKeyLTBOOLHWFMTMLX-UHFFFAOYSA-N
MW331.21 g/mol
LogP1.23
Rot. Bonds6

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

2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide (PubChem CID 54916519) 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-(3-hydroxypropyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
PubChem CID54916519
Molecular FormulaC13H19BrN2O3
Molecular Weight331.21 g/mol
Exact Mass330.06
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCO)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C13H19BrN2O3/c1-10(2)16(6-3-7-17)13(19)9-15-8-11(14)4-5-12(15)18/h4-5,8,10,17H,3,6-7,9H2,1-2H3
InChIKeyLTBOOLHWFMTMLX-UHFFFAOYSA-N
XLogP1.23
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide (CID 54916519) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide is CC(C)N(CCCO)C(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The InChIKey is LTBOOLHWFMTMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3/c1-10(2)16(6-3-7-17)13(19)9-15-8-11(14)4-5-12(15)18/h4-5,8,10,17H,3,6-7,9H2,1-2H3.
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide has a molecular weight of 331.21 g/mol, XLogP of 1.23, 6 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-(3-hydroxypropyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 54916519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).