5-amino-3-bromo-1-(4-methoxybutyl)-4-methylpyridin-2-one

C11H17BrN2O2 — CID 104647609

IUPAC5-amino-3-bromo-1-(4-methoxybutyl)-4-methylpyridin-2-one
SMILESCOCCCCn1cc(N)c(C)c(Br)c1=O
InChIInChI=1S/C11H17BrN2O2/c1-8-9(13)7-14(11(15)10(8)12)5-3-4-6-16-2/h7H,3-6,13H2,1-2H3
InChIKeyNEYFWKSXJVJFBC-UHFFFAOYSA-N
MW289.17 g/mol
LogP1.93
Rot. Bonds5

About 5-amino-3-bromo-1-(4-methoxybutyl)-4-methylpyridin-2-one

5-amino-3-bromo-1-(4-methoxybutyl)-4-methylpyridin-2-one (PubChem CID 104647609) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 5-amino-3-bromo-1-(4-methoxybutyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-1-(4-methoxybutyl)-4-methylpyridin-2-one
PubChem CID104647609
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name5-amino-3-bromo-1-(4-methoxybutyl)-4-methylpyridin-2-one
SMILESCOCCCCn1cc(N)c(C)c(Br)c1=O
InChIInChI=1S/C11H17BrN2O2/c1-8-9(13)7-14(11(15)10(8)12)5-3-4-6-16-2/h7H,3-6,13H2,1-2H3
InChIKeyNEYFWKSXJVJFBC-UHFFFAOYSA-N
XLogP1.93
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 51.93
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-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)pentanenitrile
CID 104505870
2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 104505729
5-amino-3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one
CID 104505753
5-amino-3-bromo-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 104505641
5-amino-3-bromo-1-[(3,5-dimethylphenyl)methyl]-4-methylpyridin-2-one
CID 104505889
5-bromo-1-(4-methoxybutyl)pyridin-2-one
CID 115735573
2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(cyclopropylmethyl)acetamide
CID 104505835
5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one
CID 104505773
4-bromo-2-(3-methoxypropyl)-5,6,7,8-tetrahydroisoquinolin-1-one
CID 138046992
1-(4-methoxybutyl)-3-methylimidazol-2-one
CID 115773746
5-amino-3-bromo-1-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-2-one
CID 104505695
5-amino-3-bromo-1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104797243

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-(4-methoxybutyl)-4-methylpyridin-2-one?
The IUPAC name of 5-amino-3-bromo-1-(4-methoxybutyl)-4-methylpyridin-2-one (CID 104647609) is 5-amino-3-bromo-1-(4-methoxybutyl)-4-methylpyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-1-(4-methoxybutyl)-4-methylpyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-1-(4-methoxybutyl)-4-methylpyridin-2-one is COCCCCn1cc(N)c(C)c(Br)c1=O.
What is the InChIKey of 5-amino-3-bromo-1-(4-methoxybutyl)-4-methylpyridin-2-one?
The InChIKey is NEYFWKSXJVJFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c1-8-9(13)7-14(11(15)10(8)12)5-3-4-6-16-2/h7H,3-6,13H2,1-2H3.
What are the key properties of 5-amino-3-bromo-1-(4-methoxybutyl)-4-methylpyridin-2-one?
5-amino-3-bromo-1-(4-methoxybutyl)-4-methylpyridin-2-one has a molecular weight of 289.17 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-(4-methoxybutyl)-4-methylpyridin-2-one is sourced from PubChem (CID 104647609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).