4-hydroxy-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-thiophen-2-ylmethyl]-1,6-dimethylpyridin-2-one

C19H20N2O4S — CID 54692785

IUPAC4-hydroxy-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-thiophen-2-ylmethyl]-1,6-dimethylpyridin-2-one
SMILESCc1cc(O)c(C(c2cccs2)c2c(O)cc(C)n(C)c2=O)c(=O)n1C
InChIInChI=1S/C19H20N2O4S/c1-10-8-12(22)15(18(24)20(10)3)17(14-6-5-7-26-14)16-13(23)9-11(2)21(4)19(16)25/h5-9,17,22-23H,1-4H3
InChIKeyQTEIFJCKKZKTMQ-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.35
Rot. Bonds3

About 4-hydroxy-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-thiophen-2-ylmethyl]-1,6-dimethylpyridin-2-one

4-hydroxy-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-thiophen-2-ylmethyl]-1,6-dimethylpyridin-2-one (PubChem CID 54692785) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-thiophen-2-ylmethyl]-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-thiophen-2-ylmethyl]-1,6-dimethylpyridin-2-one
PubChem CID54692785
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name4-hydroxy-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-thiophen-2-ylmethyl]-1,6-dimethylpyridin-2-one
SMILESCc1cc(O)c(C(c2cccs2)c2c(O)cc(C)n(C)c2=O)c(=O)n1C
InChIInChI=1S/C19H20N2O4S/c1-10-8-12(22)15(18(24)20(10)3)17(14-6-5-7-26-14)16-13(23)9-11(2)21(4)19(16)25/h5-9,17,22-23H,1-4H3
InChIKeyQTEIFJCKKZKTMQ-UHFFFAOYSA-N
XLogP2.35
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-thiophen-2-ylmethyl]-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-hydroxy-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-thiophen-2-ylmethyl]-1,6-dimethylpyridin-2-one (CID 54692785) is 4-hydroxy-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-thiophen-2-ylmethyl]-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-thiophen-2-ylmethyl]-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-hydroxy-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-thiophen-2-ylmethyl]-1,6-dimethylpyridin-2-one is Cc1cc(O)c(C(c2cccs2)c2c(O)cc(C)n(C)c2=O)c(=O)n1C.
What is the InChIKey of 4-hydroxy-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-thiophen-2-ylmethyl]-1,6-dimethylpyridin-2-one?
The InChIKey is QTEIFJCKKZKTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-10-8-12(22)15(18(24)20(10)3)17(14-6-5-7-26-14)16-13(23)9-11(2)21(4)19(16)25/h5-9,17,22-23H,1-4H3.
What are the key properties of 4-hydroxy-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-thiophen-2-ylmethyl]-1,6-dimethylpyridin-2-one?
4-hydroxy-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-thiophen-2-ylmethyl]-1,6-dimethylpyridin-2-one has a molecular weight of 372.45 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-thiophen-2-ylmethyl]-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 54692785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).