5-[(4-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one

C11H11BrN2OS — CID 60932450

IUPAC5-[(4-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one
SMILESCn1cc(NCc2cc(Br)cs2)ccc1=O
InChIInChI=1S/C11H11BrN2OS/c1-14-6-9(2-3-11(14)15)13-5-10-4-8(12)7-16-10/h2-4,6-7,13H,5H2,1H3
InChIKeyRFQHIHIPJGRNOR-UHFFFAOYSA-N
MW299.19 g/mol
LogP2.82
Rot. Bonds3

About 5-[(4-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one

5-[(4-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one (PubChem CID 60932450) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is 5-[(4-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(4-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one
PubChem CID60932450
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name5-[(4-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one
SMILESCn1cc(NCc2cc(Br)cs2)ccc1=O
InChIInChI=1S/C11H11BrN2OS/c1-14-6-9(2-3-11(14)15)13-5-10-4-8(12)7-16-10/h2-4,6-7,13H,5H2,1H3
InChIKeyRFQHIHIPJGRNOR-UHFFFAOYSA-N
XLogP2.82
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-bromothiophen-2-yl)methylamino]-1-(2-methoxyethyl)pyridin-2-one
CID 43733538
1-methyl-5-[(4-phenylthiophen-2-yl)methylamino]pyridin-2-one
CID 61017248
5-[(4,5-dibromothiophen-2-yl)methylamino]-1-methylpyridin-2-one
CID 102834614
5-[(5-ethylthiophen-2-yl)methylamino]-1-methylpyridin-2-one
CID 62345735
5-[(5-chlorothiophen-2-yl)methylamino]-1-methylpyridin-2-one
CID 60930792
1-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]ethanone
CID 115586166
1-methyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one
CID 60930659
5-[(5-ethylfuran-2-yl)methylamino]-1-methylpyridin-2-one
CID 62345999
2-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 43714168
5-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]-1-methylpyridin-2-one
CID 60932086
5-[(4-hydroxyphenyl)methylamino]-1-methylpyridin-2-one
CID 54866090
N-[(4-bromothiophen-2-yl)methyl]naphthalen-2-amine
CID 43680355

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one?
The IUPAC name of 5-[(4-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one (CID 60932450) is 5-[(4-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(4-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(4-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one is Cn1cc(NCc2cc(Br)cs2)ccc1=O.
What is the InChIKey of 5-[(4-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one?
The InChIKey is RFQHIHIPJGRNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c1-14-6-9(2-3-11(14)15)13-5-10-4-8(12)7-16-10/h2-4,6-7,13H,5H2,1H3.
What are the key properties of 5-[(4-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one?
5-[(4-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one has a molecular weight of 299.19 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one is sourced from PubChem (CID 60932450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).