2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxypentyl)-N-methylacetamide

C13H19BrN2O3 — CID 107202878

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxypentyl)-N-methylacetamide
SMILESCN(CCCCCO)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C13H19BrN2O3/c1-15(7-3-2-4-8-17)13(19)10-16-9-11(14)5-6-12(16)18/h5-6,9,17H,2-4,7-8,10H2,1H3
InChIKeyBUFAKEYXTAUNDR-UHFFFAOYSA-N
MW331.21 g/mol
LogP1.23
Rot. Bonds7

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxypentyl)-N-methylacetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxypentyl)-N-methylacetamide (PubChem CID 107202878) 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-(5-hydroxypentyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxypentyl)-N-methylacetamide
PubChem CID107202878
Molecular FormulaC13H19BrN2O3
Molecular Weight331.21 g/mol
Exact Mass330.06
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxypentyl)-N-methylacetamide
SMILESCN(CCCCCO)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C13H19BrN2O3/c1-15(7-3-2-4-8-17)13(19)10-16-9-11(14)5-6-12(16)18/h5-6,9,17H,2-4,7-8,10H2,1H3
InChIKeyBUFAKEYXTAUNDR-UHFFFAOYSA-N
XLogP1.23
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 128988260
5-Bromo-1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 43430823
2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 54916519
5-Bromo-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 61409261
3-Amino-1-(5-hydroxypentyl)pyridin-2(1h)-one
CID 62228665
5-Bromo-1-(5-hydroxypentyl)pyridin-2-one
CID 62229538
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylacetamide
CID 65981305
5-bromo-1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 66262500
5-bromo-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 79029259
2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxypentan-2-yl)acetamide
CID 80294757
5-Bromo-1-(5-hydroxypentyl)-3-methylpyridin-2-one
CID 83133552
5-Bromo-1-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 102737952

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxypentyl)-N-methylacetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxypentyl)-N-methylacetamide (CID 107202878) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxypentyl)-N-methylacetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxypentyl)-N-methylacetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxypentyl)-N-methylacetamide is CN(CCCCCO)C(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxypentyl)-N-methylacetamide?
The InChIKey is BUFAKEYXTAUNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3/c1-15(7-3-2-4-8-17)13(19)10-16-9-11(14)5-6-12(16)18/h5-6,9,17H,2-4,7-8,10H2,1H3.
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxypentyl)-N-methylacetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(5-hydroxypentyl)-N-methylacetamide has a molecular weight of 331.21 g/mol, XLogP of 1.23, 7 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-(5-hydroxypentyl)-N-methylacetamide is sourced from PubChem (CID 107202878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).