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

C24H28N2O5 — CID 54677368

IUPAC1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCCn1c(C)c(C(c2ccccc2OC)c2c(O)cc(C)n(CC)c2=O)c(O)cc1=O
InChIInChI=1S/C24H28N2O5/c1-6-25-14(3)12-17(27)23(24(25)30)22(16-10-8-9-11-19(16)31-5)21-15(4)26(7-2)20(29)13-18(21)28/h8-13,22,27-28H,6-7H2,1-5H3
InChIKeyBAYPXFBBLWSMGF-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.27
Rot. Bonds6

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

1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54677368) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID54677368
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCCn1c(C)c(C(c2ccccc2OC)c2c(O)cc(C)n(CC)c2=O)c(O)cc1=O
InChIInChI=1S/C24H28N2O5/c1-6-25-14(3)12-17(27)23(24(25)30)22(16-10-8-9-11-19(16)31-5)21-15(4)26(7-2)20(29)13-18(21)28/h8-13,22,27-28H,6-7H2,1-5H3
InChIKeyBAYPXFBBLWSMGF-UHFFFAOYSA-N
XLogP3.27
TPSA93.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one (CID 54677368) is 1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one is CCn1c(C)c(C(c2ccccc2OC)c2c(O)cc(C)n(CC)c2=O)c(O)cc1=O.
What is the InChIKey of 1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is BAYPXFBBLWSMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-6-25-14(3)12-17(27)23(24(25)30)22(16-10-8-9-11-19(16)31-5)21-15(4)26(7-2)20(29)13-18(21)28/h8-13,22,27-28H,6-7H2,1-5H3.
What are the key properties of 1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 424.50 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54677368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).