4-hydroxy-2-(3-phenoxyphenyl)-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one

C25H22N2O4 — CID 108712267

IUPAC4-hydroxy-2-(3-phenoxyphenyl)-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(Cc2ccccn2)C1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C25H22N2O4/c1-2-21(28)22-23(27(25(30)24(22)29)16-18-10-6-7-14-26-18)17-9-8-13-20(15-17)31-19-11-4-3-5-12-19/h3-15,23,29H,2,16H2,1H3
InChIKeyDLHOJVXEHVOTSX-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.75
Rot. Bonds7

About 4-hydroxy-2-(3-phenoxyphenyl)-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one

4-hydroxy-2-(3-phenoxyphenyl)-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one (PubChem CID 108712267) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is 4-hydroxy-2-(3-phenoxyphenyl)-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(3-phenoxyphenyl)-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
PubChem CID108712267
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name4-hydroxy-2-(3-phenoxyphenyl)-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(Cc2ccccn2)C1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C25H22N2O4/c1-2-21(28)22-23(27(25(30)24(22)29)16-18-10-6-7-14-26-18)17-9-8-13-20(15-17)31-19-11-4-3-5-12-19/h3-15,23,29H,2,16H2,1H3
InChIKeyDLHOJVXEHVOTSX-UHFFFAOYSA-N
XLogP4.75
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-2-phenyl-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108639985
4-hydroxy-2-(3-phenoxyphenyl)-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108712344
2-(4-chlorophenyl)-4-hydroxy-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108600270
4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108647903
4-hydroxy-3-(3-methylbutanoyl)-2-(3-phenoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108712346
4-hydroxy-3-(2-methylpropanoyl)-2-(3-phenoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108712343
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-methylphenyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108619419
(4Z)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrolidine-2,3-dione
CID 108712255
(4E)-4-[(4-ethoxy-3-methylphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrolidine-2,3-dione
CID 108712276
2-(3,4-dichlorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108695258
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[3-(2-methylpropoxy)phenyl]-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108693983
4-hydroxy-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 108702467

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(3-phenoxyphenyl)-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(3-phenoxyphenyl)-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one (CID 108712267) is 4-hydroxy-2-(3-phenoxyphenyl)-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(3-phenoxyphenyl)-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(3-phenoxyphenyl)-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(Cc2ccccn2)C1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 4-hydroxy-2-(3-phenoxyphenyl)-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is DLHOJVXEHVOTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-2-21(28)22-23(27(25(30)24(22)29)16-18-10-6-7-14-26-18)17-9-8-13-20(15-17)31-19-11-4-3-5-12-19/h3-15,23,29H,2,16H2,1H3.
What are the key properties of 4-hydroxy-2-(3-phenoxyphenyl)-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?
4-hydroxy-2-(3-phenoxyphenyl)-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 414.46 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(3-phenoxyphenyl)-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108712267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).