1-ethyl-3-[1-(1-ethyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)cyclohexyl]-4-hydroxy-6-methylpyridin-2-one

C22H30N2O4 — CID 54677185

IUPAC1-ethyl-3-[1-(1-ethyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)cyclohexyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCCn1c(C)cc(O)c(C2(c3c(O)cc(C)n(CC)c3=O)CCCCC2)c1=O
InChIInChI=1S/C22H30N2O4/c1-5-23-14(3)12-16(25)18(20(23)27)22(10-8-7-9-11-22)19-17(26)13-15(4)24(6-2)21(19)28/h12-13,25-26H,5-11H2,1-4H3
InChIKeyRSQGKTRIYLIAGX-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.33
Rot. Bonds4

About 1-ethyl-3-[1-(1-ethyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)cyclohexyl]-4-hydroxy-6-methylpyridin-2-one

1-ethyl-3-[1-(1-ethyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)cyclohexyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54677185) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 1-ethyl-3-[1-(1-ethyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)cyclohexyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[1-(1-ethyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)cyclohexyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID54677185
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name1-ethyl-3-[1-(1-ethyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)cyclohexyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCCn1c(C)cc(O)c(C2(c3c(O)cc(C)n(CC)c3=O)CCCCC2)c1=O
InChIInChI=1S/C22H30N2O4/c1-5-23-14(3)12-16(25)18(20(23)27)22(10-8-7-9-11-22)19-17(26)13-15(4)24(6-2)21(19)28/h12-13,25-26H,5-11H2,1-4H3
InChIKeyRSQGKTRIYLIAGX-UHFFFAOYSA-N
XLogP3.33
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-(1-ethyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)cyclohexyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-ethyl-3-[1-(1-ethyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)cyclohexyl]-4-hydroxy-6-methylpyridin-2-one (CID 54677185) is 1-ethyl-3-[1-(1-ethyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)cyclohexyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-ethyl-3-[1-(1-ethyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)cyclohexyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-ethyl-3-[1-(1-ethyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)cyclohexyl]-4-hydroxy-6-methylpyridin-2-one is CCn1c(C)cc(O)c(C2(c3c(O)cc(C)n(CC)c3=O)CCCCC2)c1=O.
What is the InChIKey of 1-ethyl-3-[1-(1-ethyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)cyclohexyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is RSQGKTRIYLIAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-5-23-14(3)12-16(25)18(20(23)27)22(10-8-7-9-11-22)19-17(26)13-15(4)24(6-2)21(19)28/h12-13,25-26H,5-11H2,1-4H3.
What are the key properties of 1-ethyl-3-[1-(1-ethyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)cyclohexyl]-4-hydroxy-6-methylpyridin-2-one?
1-ethyl-3-[1-(1-ethyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)cyclohexyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 386.49 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-(1-ethyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)cyclohexyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54677185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).