2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-ethyl-2-hydroxypentyl)acetamide

C14H21BrN2O3 — CID 103658247

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-ethyl-2-hydroxypentyl)acetamide
SMILESCCC(CC)C(O)CNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C14H21BrN2O3/c1-3-10(4-2)12(18)7-16-13(19)9-17-8-11(15)5-6-14(17)20/h5-6,8,10,12,18H,3-4,7,9H2,1-2H3,(H,16,19)
InChIKeySSZMVHSVYFDTDR-UHFFFAOYSA-N
MW345.24 g/mol
LogP1.52
Rot. Bonds7

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-ethyl-2-hydroxypentyl)acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-ethyl-2-hydroxypentyl)acetamide (PubChem CID 103658247) has the molecular formula C14H21BrN2O3 and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-ethyl-2-hydroxypentyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-ethyl-2-hydroxypentyl)acetamide
PubChem CID103658247
Molecular FormulaC14H21BrN2O3
Molecular Weight345.24 g/mol
Exact Mass344.07
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-ethyl-2-hydroxypentyl)acetamide
SMILESCCC(CC)C(O)CNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C14H21BrN2O3/c1-3-10(4-2)12(18)7-16-13(19)9-17-8-11(15)5-6-14(17)20/h5-6,8,10,12,18H,3-4,7,9H2,1-2H3,(H,16,19)
InChIKeySSZMVHSVYFDTDR-UHFFFAOYSA-N
XLogP1.52
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-2-hydroxypentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111115798
N-(3-ethyl-2-hydroxypentyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111115846
N-(2-hydroxy-3-methylpentyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 112296462
N-(2-hydroxy-4-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 112297719
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxybutan-2-yl)acetamide
CID 43427917
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxypropyl)acetamide
CID 43427918
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxycyclohexyl)acetamide
CID 55064267
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61245774
2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62518615
2-(5-bromo-2-oxo-1-pyridinyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62521205
2-(5-amino-2-oxo-1-pyridinyl)-N-(2-cyclopropyl-2-hydroxyethyl)acetamide
CID 63294366
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopropyl-2-hydroxyethyl)acetamide
CID 63295274

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-ethyl-2-hydroxypentyl)acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-ethyl-2-hydroxypentyl)acetamide (CID 103658247) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-ethyl-2-hydroxypentyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-ethyl-2-hydroxypentyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-ethyl-2-hydroxypentyl)acetamide is CCC(CC)C(O)CNC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-ethyl-2-hydroxypentyl)acetamide?
The InChIKey is SSZMVHSVYFDTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3/c1-3-10(4-2)12(18)7-16-13(19)9-17-8-11(15)5-6-14(17)20/h5-6,8,10,12,18H,3-4,7,9H2,1-2H3,(H,16,19).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-ethyl-2-hydroxypentyl)acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-ethyl-2-hydroxypentyl)acetamide has a molecular weight of 345.24 g/mol, XLogP of 1.52, 7 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-(3-ethyl-2-hydroxypentyl)acetamide is sourced from PubChem (CID 103658247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).