5-amino-4-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one

C11H12N2OS — CID 79356065

IUPAC5-amino-4-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one
SMILESCc1cc(=O)n(Cc2ccsc2)cc1N
InChIInChI=1S/C11H12N2OS/c1-8-4-11(14)13(6-10(8)12)5-9-2-3-15-7-9/h2-4,6-7H,5,12H2,1H3
InChIKeyUXYOFEOPXCFXFK-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.85
Rot. Bonds2

About 5-amino-4-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one

5-amino-4-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one (PubChem CID 79356065) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 5-amino-4-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-4-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one
PubChem CID79356065
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name5-amino-4-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one
SMILESCc1cc(=O)n(Cc2ccsc2)cc1N
InChIInChI=1S/C11H12N2OS/c1-8-4-11(14)13(6-10(8)12)5-9-2-3-15-7-9/h2-4,6-7H,5,12H2,1H3
InChIKeyUXYOFEOPXCFXFK-UHFFFAOYSA-N
XLogP1.85
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one?
The IUPAC name of 5-amino-4-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one (CID 79356065) is 5-amino-4-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 5-amino-4-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 5-amino-4-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one is Cc1cc(=O)n(Cc2ccsc2)cc1N.
What is the InChIKey of 5-amino-4-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one?
The InChIKey is UXYOFEOPXCFXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8-4-11(14)13(6-10(8)12)5-9-2-3-15-7-9/h2-4,6-7H,5,12H2,1H3.
What are the key properties of 5-amino-4-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one?
5-amino-4-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one has a molecular weight of 220.30 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 79356065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).