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

C13H14N2O4 — CID 54703535

IUPAC4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(O)c(Cc2c(O)cc(C)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C13H14N2O4/c1-6-3-10(16)8(12(18)14-6)5-9-11(17)4-7(2)15-13(9)19/h3-4H,5H2,1-2H3,(H2,14,16,18)(H2,15,17,19)
InChIKeyHULSKEWCCNYVES-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.68
Rot. Bonds2

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

4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one (PubChem CID 54703535) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one
PubChem CID54703535
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(O)c(Cc2c(O)cc(C)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C13H14N2O4/c1-6-3-10(16)8(12(18)14-6)5-9-11(17)4-7(2)15-13(9)19/h3-4H,5H2,1-2H3,(H2,14,16,18)(H2,15,17,19)
InChIKeyHULSKEWCCNYVES-UHFFFAOYSA-N
XLogP0.68
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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)methyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one (CID 54703535) is 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)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)methyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one is Cc1cc(O)c(Cc2c(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)methyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is HULSKEWCCNYVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-6-3-10(16)8(12(18)14-6)5-9-11(17)4-7(2)15-13(9)19/h3-4H,5H2,1-2H3,(H2,14,16,18)(H2,15,17,19).
What are the key properties of 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one?
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 262.26 g/mol, XLogP of 0.68, 2 rotatable bonds, 4 hydrogen bond donors, and 4 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)methyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 54703535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).