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

C12H17BrN2O3 — CID 66108582

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(4-hydroxy-2-methylbutyl)acetamide
SMILESCC(CCO)CNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C12H17BrN2O3/c1-9(4-5-16)6-14-11(17)8-15-7-10(13)2-3-12(15)18/h2-3,7,9,16H,4-6,8H2,1H3,(H,14,17)
InChIKeyBVJHBPXGGAAUDS-UHFFFAOYSA-N
MW317.18 g/mol
LogP0.75
Rot. Bonds6

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

2-(5-bromo-2-oxo-1-pyridinyl)-N-(4-hydroxy-2-methylbutyl)acetamide (PubChem CID 66108582) has the molecular formula C12H17BrN2O3 and a molecular weight of 317.18 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(4-hydroxy-2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(4-hydroxy-2-methylbutyl)acetamide
PubChem CID66108582
Molecular FormulaC12H17BrN2O3
Molecular Weight317.18 g/mol
Exact Mass316.04
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(4-hydroxy-2-methylbutyl)acetamide
SMILESCC(CCO)CNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C12H17BrN2O3/c1-9(4-5-16)6-14-11(17)8-15-7-10(13)2-3-12(15)18/h2-3,7,9,16H,4-6,8H2,1H3,(H,14,17)
InChIKeyBVJHBPXGGAAUDS-UHFFFAOYSA-N
XLogP0.75
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 50.75
H-Bond Donors ≤ 52
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-(4-hydroxy-2-methylbutyl)acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(4-hydroxy-2-methylbutyl)acetamide (CID 66108582) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(4-hydroxy-2-methylbutyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(4-hydroxy-2-methylbutyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(4-hydroxy-2-methylbutyl)acetamide is CC(CCO)CNC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(4-hydroxy-2-methylbutyl)acetamide?
The InChIKey is BVJHBPXGGAAUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3/c1-9(4-5-16)6-14-11(17)8-15-7-10(13)2-3-12(15)18/h2-3,7,9,16H,4-6,8H2,1H3,(H,14,17).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(4-hydroxy-2-methylbutyl)acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(4-hydroxy-2-methylbutyl)acetamide has a molecular weight of 317.18 g/mol, XLogP of 0.75, 6 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-(4-hydroxy-2-methylbutyl)acetamide is sourced from PubChem (CID 66108582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).