3-hydroxy-1-[4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)cyclohexyl]-2-methylpyridin-4-one

C18H22N2O4 — CID 155465107

IUPAC3-hydroxy-1-[4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)cyclohexyl]-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1C1CCC(n2ccc(=O)c(O)c2C)CC1
InChIInChI=1S/C18H22N2O4/c1-11-17(23)15(21)7-9-19(11)13-3-5-14(6-4-13)20-10-8-16(22)18(24)12(20)2/h7-10,13-14,23-24H,3-6H2,1-2H3
InChIKeyJDGDBVBNHFXNFH-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.39
Rot. Bonds2

About 3-hydroxy-1-[4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)cyclohexyl]-2-methylpyridin-4-one

3-hydroxy-1-[4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)cyclohexyl]-2-methylpyridin-4-one (PubChem CID 155465107) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-hydroxy-1-[4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)cyclohexyl]-2-methylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-[4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)cyclohexyl]-2-methylpyridin-4-one
PubChem CID155465107
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-hydroxy-1-[4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)cyclohexyl]-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1C1CCC(n2ccc(=O)c(O)c2C)CC1
InChIInChI=1S/C18H22N2O4/c1-11-17(23)15(21)7-9-19(11)13-3-5-14(6-4-13)20-10-8-16(22)18(24)12(20)2/h7-10,13-14,23-24H,3-6H2,1-2H3
InChIKeyJDGDBVBNHFXNFH-UHFFFAOYSA-N
XLogP2.39
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)cyclohexyl]-2-methylpyridin-4-one?
The IUPAC name of 3-hydroxy-1-[4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)cyclohexyl]-2-methylpyridin-4-one (CID 155465107) is 3-hydroxy-1-[4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)cyclohexyl]-2-methylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-[4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)cyclohexyl]-2-methylpyridin-4-one?
The canonical SMILES for 3-hydroxy-1-[4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)cyclohexyl]-2-methylpyridin-4-one is Cc1c(O)c(=O)ccn1C1CCC(n2ccc(=O)c(O)c2C)CC1.
What is the InChIKey of 3-hydroxy-1-[4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)cyclohexyl]-2-methylpyridin-4-one?
The InChIKey is JDGDBVBNHFXNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-11-17(23)15(21)7-9-19(11)13-3-5-14(6-4-13)20-10-8-16(22)18(24)12(20)2/h7-10,13-14,23-24H,3-6H2,1-2H3.
What are the key properties of 3-hydroxy-1-[4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)cyclohexyl]-2-methylpyridin-4-one?
3-hydroxy-1-[4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)cyclohexyl]-2-methylpyridin-4-one has a molecular weight of 330.38 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)cyclohexyl]-2-methylpyridin-4-one is sourced from PubChem (CID 155465107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).