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

C18H16N2O4 — CID 141453996

IUPAC4-hydroxy-3-[(4-hydroxy-2-oxo-1H-pyridin-3-yl)-(4-methylphenyl)methyl]-1H-pyridin-2-one
SMILESCc1ccc(C(c2c(O)cc[nH]c2=O)c2c(O)cc[nH]c2=O)cc1
InChIInChI=1S/C18H16N2O4/c1-10-2-4-11(5-3-10)14(15-12(21)6-8-19-17(15)23)16-13(22)7-9-20-18(16)24/h2-9,14H,1H3,(H2,19,21,23)(H2,20,22,24)
InChIKeyQSDRZOATFPHARZ-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.96
Rot. Bonds3

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

4-hydroxy-3-[(4-hydroxy-2-oxo-1H-pyridin-3-yl)-(4-methylphenyl)methyl]-1H-pyridin-2-one (PubChem CID 141453996) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-hydroxy-2-oxo-1H-pyridin-3-yl)-(4-methylphenyl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(4-hydroxy-2-oxo-1H-pyridin-3-yl)-(4-methylphenyl)methyl]-1H-pyridin-2-one
PubChem CID141453996
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name4-hydroxy-3-[(4-hydroxy-2-oxo-1H-pyridin-3-yl)-(4-methylphenyl)methyl]-1H-pyridin-2-one
SMILESCc1ccc(C(c2c(O)cc[nH]c2=O)c2c(O)cc[nH]c2=O)cc1
InChIInChI=1S/C18H16N2O4/c1-10-2-4-11(5-3-10)14(15-12(21)6-8-19-17(15)23)16-13(22)7-9-20-18(16)24/h2-9,14H,1H3,(H2,19,21,23)(H2,20,22,24)
InChIKeyQSDRZOATFPHARZ-UHFFFAOYSA-N
XLogP1.96
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.96
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-2-oxo-1H-pyridin-3-yl)-(4-methylphenyl)methyl]-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-3-[(4-hydroxy-2-oxo-1H-pyridin-3-yl)-(4-methylphenyl)methyl]-1H-pyridin-2-one (CID 141453996) is 4-hydroxy-3-[(4-hydroxy-2-oxo-1H-pyridin-3-yl)-(4-methylphenyl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-[(4-hydroxy-2-oxo-1H-pyridin-3-yl)-(4-methylphenyl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-[(4-hydroxy-2-oxo-1H-pyridin-3-yl)-(4-methylphenyl)methyl]-1H-pyridin-2-one is Cc1ccc(C(c2c(O)cc[nH]c2=O)c2c(O)cc[nH]c2=O)cc1.
What is the InChIKey of 4-hydroxy-3-[(4-hydroxy-2-oxo-1H-pyridin-3-yl)-(4-methylphenyl)methyl]-1H-pyridin-2-one?
The InChIKey is QSDRZOATFPHARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-10-2-4-11(5-3-10)14(15-12(21)6-8-19-17(15)23)16-13(22)7-9-20-18(16)24/h2-9,14H,1H3,(H2,19,21,23)(H2,20,22,24).
What are the key properties of 4-hydroxy-3-[(4-hydroxy-2-oxo-1H-pyridin-3-yl)-(4-methylphenyl)methyl]-1H-pyridin-2-one?
4-hydroxy-3-[(4-hydroxy-2-oxo-1H-pyridin-3-yl)-(4-methylphenyl)methyl]-1H-pyridin-2-one has a molecular weight of 324.34 g/mol, XLogP of 1.96, 3 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-2-oxo-1H-pyridin-3-yl)-(4-methylphenyl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 141453996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).