5-[1-(3-bromothiophen-2-yl)ethylamino]-1-methylpyridin-2-one

C12H13BrN2OS — CID 54866057

IUPAC5-[1-(3-bromothiophen-2-yl)ethylamino]-1-methylpyridin-2-one
SMILESCC(Nc1ccc(=O)n(C)c1)c1sccc1Br
InChIInChI=1S/C12H13BrN2OS/c1-8(12-10(13)5-6-17-12)14-9-3-4-11(16)15(2)7-9/h3-8,14H,1-2H3
InChIKeyLVLYXNJVIFCFAI-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.38
Rot. Bonds3

About 5-[1-(3-bromothiophen-2-yl)ethylamino]-1-methylpyridin-2-one

5-[1-(3-bromothiophen-2-yl)ethylamino]-1-methylpyridin-2-one (PubChem CID 54866057) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is 5-[1-(3-bromothiophen-2-yl)ethylamino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[1-(3-bromothiophen-2-yl)ethylamino]-1-methylpyridin-2-one
PubChem CID54866057
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC Name5-[1-(3-bromothiophen-2-yl)ethylamino]-1-methylpyridin-2-one
SMILESCC(Nc1ccc(=O)n(C)c1)c1sccc1Br
InChIInChI=1S/C12H13BrN2OS/c1-8(12-10(13)5-6-17-12)14-9-3-4-11(16)15(2)7-9/h3-8,14H,1-2H3
InChIKeyLVLYXNJVIFCFAI-UHFFFAOYSA-N
XLogP3.38
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[1-(3-bromothiophen-2-yl)ethylamino]-1-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-bromothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine
CID 43776723
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfonylaniline
CID 43761452
N-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]propanamide
CID 43786026
4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-3-methylaniline
CID 43759920
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylaniline
CID 43759216
5-[(3-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one
CID 115380202
5-[1-(3-bromothiophen-2-yl)ethylamino]isoindole-1,3-dione
CID 43766297
N-[1-(3-bromothiophen-2-yl)ethyl]-4-(difluoromethylsulfonyl)aniline
CID 43781120
4-[1-(3-bromothiophen-2-yl)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 43780736
N-[1-(3-bromothiophen-2-yl)ethyl]-3-chloro-4-methylaniline
CID 43757455
5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpyridin-2-one
CID 60930651
2-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-N-ethylacetamide
CID 43789468

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-bromothiophen-2-yl)ethylamino]-1-methylpyridin-2-one?
The IUPAC name of 5-[1-(3-bromothiophen-2-yl)ethylamino]-1-methylpyridin-2-one (CID 54866057) is 5-[1-(3-bromothiophen-2-yl)ethylamino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[1-(3-bromothiophen-2-yl)ethylamino]-1-methylpyridin-2-one?
The canonical SMILES for 5-[1-(3-bromothiophen-2-yl)ethylamino]-1-methylpyridin-2-one is CC(Nc1ccc(=O)n(C)c1)c1sccc1Br.
What is the InChIKey of 5-[1-(3-bromothiophen-2-yl)ethylamino]-1-methylpyridin-2-one?
The InChIKey is LVLYXNJVIFCFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c1-8(12-10(13)5-6-17-12)14-9-3-4-11(16)15(2)7-9/h3-8,14H,1-2H3.
What are the key properties of 5-[1-(3-bromothiophen-2-yl)ethylamino]-1-methylpyridin-2-one?
5-[1-(3-bromothiophen-2-yl)ethylamino]-1-methylpyridin-2-one has a molecular weight of 313.22 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-bromothiophen-2-yl)ethylamino]-1-methylpyridin-2-one is sourced from PubChem (CID 54866057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).