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

C18H24N2O4 — CID 54677335

IUPAC4-hydroxy-3-[1-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)-2-methylpropyl]-1,6-dimethylpyridin-2-one
SMILESCc1c(C(c2c(O)cc(C)n(C)c2=O)C(C)C)c(O)cc(=O)n1C
InChIInChI=1S/C18H24N2O4/c1-9(2)15(16-11(4)20(6)14(23)8-13(16)22)17-12(21)7-10(3)19(5)18(17)24/h7-9,15,21-22H,1-6H3
InChIKeyUKJNNWGVBNZBFH-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.90
Rot. Bonds3

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

4-hydroxy-3-[1-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)-2-methylpropyl]-1,6-dimethylpyridin-2-one (PubChem CID 54677335) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-hydroxy-3-[1-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)-2-methylpropyl]-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[1-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)-2-methylpropyl]-1,6-dimethylpyridin-2-one
PubChem CID54677335
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name4-hydroxy-3-[1-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)-2-methylpropyl]-1,6-dimethylpyridin-2-one
SMILESCc1c(C(c2c(O)cc(C)n(C)c2=O)C(C)C)c(O)cc(=O)n1C
InChIInChI=1S/C18H24N2O4/c1-9(2)15(16-11(4)20(6)14(23)8-13(16)22)17-12(21)7-10(3)19(5)18(17)24/h7-9,15,21-22H,1-6H3
InChIKeyUKJNNWGVBNZBFH-UHFFFAOYSA-N
XLogP1.90
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[1-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)-2-methylpropyl]-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-hydroxy-3-[1-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)-2-methylpropyl]-1,6-dimethylpyridin-2-one (CID 54677335) is 4-hydroxy-3-[1-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)-2-methylpropyl]-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-[1-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)-2-methylpropyl]-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-hydroxy-3-[1-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)-2-methylpropyl]-1,6-dimethylpyridin-2-one is Cc1c(C(c2c(O)cc(C)n(C)c2=O)C(C)C)c(O)cc(=O)n1C.
What is the InChIKey of 4-hydroxy-3-[1-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)-2-methylpropyl]-1,6-dimethylpyridin-2-one?
The InChIKey is UKJNNWGVBNZBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-9(2)15(16-11(4)20(6)14(23)8-13(16)22)17-12(21)7-10(3)19(5)18(17)24/h7-9,15,21-22H,1-6H3.
What are the key properties of 4-hydroxy-3-[1-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)-2-methylpropyl]-1,6-dimethylpyridin-2-one?
4-hydroxy-3-[1-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)-2-methylpropyl]-1,6-dimethylpyridin-2-one has a molecular weight of 332.40 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[1-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)-2-methylpropyl]-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 54677335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).