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

C26H32N2O4 — CID 54677363

IUPAC1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCCn1c(C)c(C(c2ccc(C(C)C)cc2)c2c(O)cc(C)n(CC)c2=O)c(O)cc1=O
InChIInChI=1S/C26H32N2O4/c1-7-27-16(5)13-20(29)25(26(27)32)24(19-11-9-18(10-12-19)15(3)4)23-17(6)28(8-2)22(31)14-21(23)30/h9-15,24,29-30H,7-8H2,1-6H3
InChIKeyBMJZXEKVDXRCQS-UHFFFAOYSA-N
MW436.55 g/mol
LogP4.38
Rot. Bonds6

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

1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54677363) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID54677363
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCCn1c(C)c(C(c2ccc(C(C)C)cc2)c2c(O)cc(C)n(CC)c2=O)c(O)cc1=O
InChIInChI=1S/C26H32N2O4/c1-7-27-16(5)13-20(29)25(26(27)32)24(19-11-9-18(10-12-19)15(3)4)23-17(6)28(8-2)22(31)14-21(23)30/h9-15,24,29-30H,7-8H2,1-6H3
InChIKeyBMJZXEKVDXRCQS-UHFFFAOYSA-N
XLogP4.38
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.38
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-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one (CID 54677363) is 1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(4-propan-2-ylphenyl)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)-(4-propan-2-ylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one is CCn1c(C)c(C(c2ccc(C(C)C)cc2)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)-(4-propan-2-ylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is BMJZXEKVDXRCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-7-27-16(5)13-20(29)25(26(27)32)24(19-11-9-18(10-12-19)15(3)4)23-17(6)28(8-2)22(31)14-21(23)30/h9-15,24,29-30H,7-8H2,1-6H3.
What are the key properties of 1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 436.55 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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)-(4-propan-2-ylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54677363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).