5-amino-1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one

C13H17N3OS — CID 43527887

IUPAC5-amino-1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one
SMILESCN(CCn1cc(N)ccc1=O)Cc1ccsc1
InChIInChI=1S/C13H17N3OS/c1-15(8-11-4-7-18-10-11)5-6-16-9-12(14)2-3-13(16)17/h2-4,7,9-10H,5-6,8,14H2,1H3
InChIKeyMDEMBEPGALRITK-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.62
Rot. Bonds5

About 5-amino-1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one

5-amino-1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one (PubChem CID 43527887) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-amino-1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one
PubChem CID43527887
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-amino-1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one
SMILESCN(CCn1cc(N)ccc1=O)Cc1ccsc1
InChIInChI=1S/C13H17N3OS/c1-15(8-11-4-7-18-10-11)5-6-16-9-12(14)2-3-13(16)17/h2-4,7,9-10H,5-6,8,14H2,1H3
InChIKeyMDEMBEPGALRITK-UHFFFAOYSA-N
XLogP1.62
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 9320325
1-(1-Methyl-6-oxo-3-pyridinyl)-3-(thiophen-3-ylmethyl)urea
CID 75462291
1-Methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-(thiophen-3-ylmethyl)urea
CID 118740654
1-[4-(Thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 40004840
1-methyl-2-oxo-N-propyl-N-(thiophen-3-ylmethyl)-1,2-dihydropyridine-3-carboxamide
CID 49716673
2-[Propan-2-yl(thiophen-3-ylmethyl)amino]acetamide
CID 122157791
N-(2-methylpropyl)-2-(4-oxo-1-pyridinyl)-N-(thiophen-3-ylmethyl)acetamide
CID 131939818
6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-1H-pyrimidine-2,4-dione
CID 45846280
(2E,4E)-N-(thiophen-3-ylmethyl)octa-2,4-dienamide
CID 166440404
1-[2-[Methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 25965847
N-[2-(dimethylamino)ethyl]-2-hydroxy-N-(3-thienylmethyl)-6-(trifluoromethyl)nicotinamide
CID 46989720
5-Fluoro-1-(thiophen-3-ylmethyl)pyridin-2-one
CID 130815886

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one (CID 43527887) is 5-amino-1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one is CN(CCn1cc(N)ccc1=O)Cc1ccsc1.
What is the InChIKey of 5-amino-1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one?
The InChIKey is MDEMBEPGALRITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-15(8-11-4-7-18-10-11)5-6-16-9-12(14)2-3-13(16)17/h2-4,7,9-10H,5-6,8,14H2,1H3.
What are the key properties of 5-amino-1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one?
5-amino-1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one has a molecular weight of 263.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 43527887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).