4-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-methylbutanamide

C11H15BrN2O2 — CID 83133907

IUPAC4-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-methylbutanamide
SMILESCNC(=O)CCCn1cc(Br)cc(C)c1=O
InChIInChI=1S/C11H15BrN2O2/c1-8-6-9(12)7-14(11(8)16)5-3-4-10(15)13-2/h6-7H,3-5H2,1-2H3,(H,13,15)
InChIKeyOWLAACMPSOMIMY-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.45
Rot. Bonds4

About 4-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-methylbutanamide

4-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-methylbutanamide (PubChem CID 83133907) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-methylbutanamide
PubChem CID83133907
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name4-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-methylbutanamide
SMILESCNC(=O)CCCn1cc(Br)cc(C)c1=O
InChIInChI=1S/C11H15BrN2O2/c1-8-6-9(12)7-14(11(8)16)5-3-4-10(15)13-2/h6-7H,3-5H2,1-2H3,(H,13,15)
InChIKeyOWLAACMPSOMIMY-UHFFFAOYSA-N
XLogP1.45
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(4-bromobutyl)-3-methylpyridin-2-one
CID 83130815
3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-ethylpropanamide
CID 83133302
hydrazinyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanoate
CID 83133573
5-bromo-3-methyl-1-(3-methylbut-3-enyl)pyridin-2-one
CID 114476431
5-bromo-1-[2-(ethylamino)ethyl]-3-methylpyridin-2-one
CID 83130817
1-(2-aminooxyethyl)-5-bromo-3-methylpyridin-2-one
CID 131021073
5-bromo-3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one
CID 83132882
5-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 83133727
5-bromo-3-methyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyridin-2-one
CID 83133309
5-bromo-3-methyl-1-(2-propoxyethyl)pyridin-2-one
CID 106455788
5-bromo-3-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one
CID 83133226
methyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-2-hydroxy-2-methylpropanoate
CID 83131109

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-methylbutanamide?
The IUPAC name of 4-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-methylbutanamide (CID 83133907) is 4-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-methylbutanamide.
What is the SMILES notation for 4-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-methylbutanamide?
The canonical SMILES for 4-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-methylbutanamide is CNC(=O)CCCn1cc(Br)cc(C)c1=O.
What is the InChIKey of 4-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-methylbutanamide?
The InChIKey is OWLAACMPSOMIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-8-6-9(12)7-14(11(8)16)5-3-4-10(15)13-2/h6-7H,3-5H2,1-2H3,(H,13,15).
What are the key properties of 4-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-methylbutanamide?
4-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-methylbutanamide has a molecular weight of 287.16 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-methylbutanamide is sourced from PubChem (CID 83133907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).