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

C20H20N2O5 — CID 54686407

IUPAC4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2-methoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one
SMILESCOc1ccccc1C(c1c(O)cc(C)[nH]c1=O)c1c(O)cc(C)[nH]c1=O
InChIInChI=1S/C20H20N2O5/c1-10-8-13(23)17(19(25)21-10)16(12-6-4-5-7-15(12)27-3)18-14(24)9-11(2)22-20(18)26/h4-9,16H,1-3H3,(H2,21,23,25)(H2,22,24,26)
InChIKeyOXMJDXUBLUOKGJ-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.28
Rot. Bonds4

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

4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2-methoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one (PubChem CID 54686407) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2-methoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2-methoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one
PubChem CID54686407
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2-methoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one
SMILESCOc1ccccc1C(c1c(O)cc(C)[nH]c1=O)c1c(O)cc(C)[nH]c1=O
InChIInChI=1S/C20H20N2O5/c1-10-8-13(23)17(19(25)21-10)16(12-6-4-5-7-15(12)27-3)18-14(24)9-11(2)22-20(18)26/h4-9,16H,1-3H3,(H2,21,23,25)(H2,22,24,26)
InChIKeyOXMJDXUBLUOKGJ-UHFFFAOYSA-N
XLogP2.28
TPSA115.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.28
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)-(2-methoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2-methoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one (CID 54686407) is 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2-methoxyphenyl)methyl]-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)-(2-methoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2-methoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one is COc1ccccc1C(c1c(O)cc(C)[nH]c1=O)c1c(O)cc(C)[nH]c1=O.
What is the InChIKey of 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2-methoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is OXMJDXUBLUOKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-10-8-13(23)17(19(25)21-10)16(12-6-4-5-7-15(12)27-3)18-14(24)9-11(2)22-20(18)26/h4-9,16H,1-3H3,(H2,21,23,25)(H2,22,24,26).
What are the key properties of 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2-methoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one?
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2-methoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 368.39 g/mol, XLogP of 2.28, 4 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)-(2-methoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 54686407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).