5-bromo-3-methyl-1-[2-(3-methylanilino)ethyl]pyridin-2-one

C15H17BrN2O — CID 83133830

IUPAC5-bromo-3-methyl-1-[2-(3-methylanilino)ethyl]pyridin-2-one
SMILESCc1cccc(NCCn2cc(Br)cc(C)c2=O)c1
InChIInChI=1S/C15H17BrN2O/c1-11-4-3-5-14(8-11)17-6-7-18-10-13(16)9-12(2)15(18)19/h3-5,8-10,17H,6-7H2,1-2H3
InChIKeyALEPFGJUJWNOAZ-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.34
Rot. Bonds4

About 5-bromo-3-methyl-1-[2-(3-methylanilino)ethyl]pyridin-2-one

5-bromo-3-methyl-1-[2-(3-methylanilino)ethyl]pyridin-2-one (PubChem CID 83133830) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-bromo-3-methyl-1-[2-(3-methylanilino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-methyl-1-[2-(3-methylanilino)ethyl]pyridin-2-one
PubChem CID83133830
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name5-bromo-3-methyl-1-[2-(3-methylanilino)ethyl]pyridin-2-one
SMILESCc1cccc(NCCn2cc(Br)cc(C)c2=O)c1
InChIInChI=1S/C15H17BrN2O/c1-11-4-3-5-14(8-11)17-6-7-18-10-13(16)9-12(2)15(18)19/h3-5,8-10,17H,6-7H2,1-2H3
InChIKeyALEPFGJUJWNOAZ-UHFFFAOYSA-N
XLogP3.34
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-[2-(ethylamino)ethyl]-3-methylpyridin-2-one
CID 83130817
5-bromo-3-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one
CID 83133226
3-[2-(3-methylanilino)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 62562895
5-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 83133727
1-[2-(3-methylanilino)ethyl]quinolin-4-one
CID 62565332
5-bromo-1-(4-bromobutyl)-3-methylpyridin-2-one
CID 83130815
5-bromo-3-methyl-1-(2-phenylsulfanylethyl)pyridin-2-one
CID 83133300
1-(2-aminooxyethyl)-5-bromo-3-methylpyridin-2-one
CID 131021073
N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 54806214
5-bromo-3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one
CID 83132882
3-bromo-N-[2-(5-methylindol-1-yl)ethyl]aniline
CID 63556023
N-(2-ethylsulfonylethyl)-3-methylaniline
CID 43807532

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-1-[2-(3-methylanilino)ethyl]pyridin-2-one?
The IUPAC name of 5-bromo-3-methyl-1-[2-(3-methylanilino)ethyl]pyridin-2-one (CID 83133830) is 5-bromo-3-methyl-1-[2-(3-methylanilino)ethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-3-methyl-1-[2-(3-methylanilino)ethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-3-methyl-1-[2-(3-methylanilino)ethyl]pyridin-2-one is Cc1cccc(NCCn2cc(Br)cc(C)c2=O)c1.
What is the InChIKey of 5-bromo-3-methyl-1-[2-(3-methylanilino)ethyl]pyridin-2-one?
The InChIKey is ALEPFGJUJWNOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-11-4-3-5-14(8-11)17-6-7-18-10-13(16)9-12(2)15(18)19/h3-5,8-10,17H,6-7H2,1-2H3.
What are the key properties of 5-bromo-3-methyl-1-[2-(3-methylanilino)ethyl]pyridin-2-one?
5-bromo-3-methyl-1-[2-(3-methylanilino)ethyl]pyridin-2-one has a molecular weight of 321.22 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-1-[2-(3-methylanilino)ethyl]pyridin-2-one is sourced from PubChem (CID 83133830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).