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

C13H19BrN2O3 — CID 61245774

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
SMILESCC(C)CC(CO)NC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C13H19BrN2O3/c1-9(2)5-11(8-17)15-12(18)7-16-6-10(14)3-4-13(16)19/h3-4,6,9,11,17H,5,7-8H2,1-2H3,(H,15,18)
InChIKeyCUEJWNRKKBJNQW-UHFFFAOYSA-N
MW331.21 g/mol
LogP1.13
Rot. Bonds6

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

2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide (PubChem CID 61245774) 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-(1-hydroxy-4-methylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
PubChem CID61245774
Molecular FormulaC13H19BrN2O3
Molecular Weight331.21 g/mol
Exact Mass330.06
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
SMILESCC(C)CC(CO)NC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C13H19BrN2O3/c1-9(2)5-11(8-17)15-12(18)7-16-6-10(14)3-4-13(16)19/h3-4,6,9,11,17H,5,7-8H2,1-2H3,(H,15,18)
InChIKeyCUEJWNRKKBJNQW-UHFFFAOYSA-N
XLogP1.13
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 51.13
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-(1-hydroxy-4-methylpentan-2-yl)acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide (CID 61245774) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide is CC(C)CC(CO)NC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
The InChIKey is CUEJWNRKKBJNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3/c1-9(2)5-11(8-17)15-12(18)7-16-6-10(14)3-4-13(16)19/h3-4,6,9,11,17H,5,7-8H2,1-2H3,(H,15,18).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide has a molecular weight of 331.21 g/mol, XLogP of 1.13, 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-(1-hydroxy-4-methylpentan-2-yl)acetamide is sourced from PubChem (CID 61245774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).