5-[1-(4-bromothiophen-2-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one

C14H17BrN2O2S — CID 107354174

IUPAC5-[1-(4-bromothiophen-2-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cc(NC(C)c2cc(Br)cs2)ccc1=O
InChIInChI=1S/C14H17BrN2O2S/c1-10(13-7-11(15)9-20-13)16-12-3-4-14(18)17(8-12)5-6-19-2/h3-4,7-10,16H,5-6H2,1-2H3
InChIKeyAAXUMYIUBXWCCX-UHFFFAOYSA-N
MW357.27 g/mol
LogP3.49
Rot. Bonds6

About 5-[1-(4-bromothiophen-2-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one

5-[1-(4-bromothiophen-2-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 107354174) has the molecular formula C14H17BrN2O2S and a molecular weight of 357.27 g/mol. Its IUPAC name is 5-[1-(4-bromothiophen-2-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[1-(4-bromothiophen-2-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one
PubChem CID107354174
Molecular FormulaC14H17BrN2O2S
Molecular Weight357.27 g/mol
Exact Mass356.02
IUPAC Name5-[1-(4-bromothiophen-2-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cc(NC(C)c2cc(Br)cs2)ccc1=O
InChIInChI=1S/C14H17BrN2O2S/c1-10(13-7-11(15)9-20-13)16-12-3-4-14(18)17(8-12)5-6-19-2/h3-4,7-10,16H,5-6H2,1-2H3
InChIKeyAAXUMYIUBXWCCX-UHFFFAOYSA-N
XLogP3.49
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-bromothiophen-2-yl)methylamino]-1-(2-methoxyethyl)pyridin-2-one
CID 43733538
2-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide
CID 107903976
N-[1-(4-bromothiophen-2-yl)ethyl]-4-propoxyaniline
CID 107354355
2,5-dibromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]thiophene-3-carboxamide
CID 103776755
5-[(4-bromo-2-fluorophenyl)methylamino]-1-(2-methoxyethyl)pyridin-2-one
CID 43733478
1-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]methanesulfonamide
CID 83085235
ethyl N-[4-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]carbamate
CID 107167756
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methyl-3-(methylamino)propanamide
CID 79196697
5-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-propylpyridin-2-one
CID 82963864
propan-2-yl 4-[1-(4-bromothiophen-2-yl)ethylamino]benzoate
CID 107354022
1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethylamino)pyridin-2-one
CID 63655201
5-(benzylamino)-1-(2-methoxyethyl)pyridin-2-one
CID 43733472

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-bromothiophen-2-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 5-[1-(4-bromothiophen-2-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one (CID 107354174) is 5-[1-(4-bromothiophen-2-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 5-[1-(4-bromothiophen-2-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 5-[1-(4-bromothiophen-2-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one is COCCn1cc(NC(C)c2cc(Br)cs2)ccc1=O.
What is the InChIKey of 5-[1-(4-bromothiophen-2-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is AAXUMYIUBXWCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S/c1-10(13-7-11(15)9-20-13)16-12-3-4-14(18)17(8-12)5-6-19-2/h3-4,7-10,16H,5-6H2,1-2H3.
What are the key properties of 5-[1-(4-bromothiophen-2-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one?
5-[1-(4-bromothiophen-2-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 357.27 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-bromothiophen-2-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 107354174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).