4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-6-methyl-1H-pyridin-2-one

C17H16N2O4S — CID 54686406

IUPAC4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(O)c(C(c2cccs2)c2c(O)cc(C)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C17H16N2O4S/c1-8-6-10(20)13(16(22)18-8)15(12-4-3-5-24-12)14-11(21)7-9(2)19-17(14)23/h3-7,15H,1-2H3,(H2,18,20,22)(H2,19,21,23)
InChIKeyQGXSRIUDYPQCAD-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.33
Rot. Bonds3

About 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-6-methyl-1H-pyridin-2-one

4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-6-methyl-1H-pyridin-2-one (PubChem CID 54686406) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-6-methyl-1H-pyridin-2-one
PubChem CID54686406
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(O)c(C(c2cccs2)c2c(O)cc(C)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C17H16N2O4S/c1-8-6-10(20)13(16(22)18-8)15(12-4-3-5-24-12)14-11(21)7-9(2)19-17(14)23/h3-7,15H,1-2H3,(H2,18,20,22)(H2,19,21,23)
InChIKeyQGXSRIUDYPQCAD-UHFFFAOYSA-N
XLogP2.33
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-6-methyl-1H-pyridin-2-one (CID 54686406) is 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-6-methyl-1H-pyridin-2-one is Cc1cc(O)c(C(c2cccs2)c2c(O)cc(C)[nH]c2=O)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is QGXSRIUDYPQCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-8-6-10(20)13(16(22)18-8)15(12-4-3-5-24-12)14-11(21)7-9(2)19-17(14)23/h3-7,15H,1-2H3,(H2,18,20,22)(H2,19,21,23).
What are the key properties of 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-6-methyl-1H-pyridin-2-one?
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 344.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 54686406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).