3-[furan-2-yl-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one

C19H20N2O5 — CID 54692784

IUPAC3-[furan-2-yl-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(O)c(C(c2ccco2)c2c(O)cc(C)n(C)c2=O)c(=O)n1C
InChIInChI=1S/C19H20N2O5/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
InChIKeyDOJKRGNKJNCTJH-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.89
Rot. Bonds3

About 3-[furan-2-yl-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one

3-[furan-2-yl-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one (PubChem CID 54692784) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-[furan-2-yl-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-[furan-2-yl-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one
PubChem CID54692784
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name3-[furan-2-yl-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(O)c(C(c2ccco2)c2c(O)cc(C)n(C)c2=O)c(=O)n1C
InChIInChI=1S/C19H20N2O5/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
InChIKeyDOJKRGNKJNCTJH-UHFFFAOYSA-N
XLogP1.89
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[furan-2-yl-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 3-[furan-2-yl-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one (CID 54692784) is 3-[furan-2-yl-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-[furan-2-yl-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 3-[furan-2-yl-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one is Cc1cc(O)c(C(c2ccco2)c2c(O)cc(C)n(C)c2=O)c(=O)n1C.
What is the InChIKey of 3-[furan-2-yl-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one?
The InChIKey is DOJKRGNKJNCTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/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 3-[furan-2-yl-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one?
3-[furan-2-yl-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one has a molecular weight of 356.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[furan-2-yl-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 54692784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).