4-hydroxy-1-(4-phenylmethoxyphenyl)-3-propanoyl-2-pyridin-2-yl-2H-pyrrol-5-one

C25H22N2O4 — CID 108723134

IUPAC4-hydroxy-1-(4-phenylmethoxyphenyl)-3-propanoyl-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2ccc(OCc3ccccc3)cc2)C1c1ccccn1
InChIInChI=1S/C25H22N2O4/c1-2-21(28)22-23(20-10-6-7-15-26-20)27(25(30)24(22)29)18-11-13-19(14-12-18)31-16-17-8-4-3-5-9-17/h3-15,23,29H,2,16H2,1H3
InChIKeyKCHNDGAPVUTRHY-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.54
Rot. Bonds7

About 4-hydroxy-1-(4-phenylmethoxyphenyl)-3-propanoyl-2-pyridin-2-yl-2H-pyrrol-5-one

4-hydroxy-1-(4-phenylmethoxyphenyl)-3-propanoyl-2-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 108723134) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is 4-hydroxy-1-(4-phenylmethoxyphenyl)-3-propanoyl-2-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(4-phenylmethoxyphenyl)-3-propanoyl-2-pyridin-2-yl-2H-pyrrol-5-one
PubChem CID108723134
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name4-hydroxy-1-(4-phenylmethoxyphenyl)-3-propanoyl-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2ccc(OCc3ccccc3)cc2)C1c1ccccn1
InChIInChI=1S/C25H22N2O4/c1-2-21(28)22-23(20-10-6-7-15-26-20)27(25(30)24(22)29)18-11-13-19(14-12-18)31-16-17-8-4-3-5-9-17/h3-15,23,29H,2,16H2,1H3
InChIKeyKCHNDGAPVUTRHY-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-1-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108723155
1,2-bis(4-ethoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108674898
ethyl 2-[4-[4-hydroxy-3-(3-methylbutanoyl)-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]phenyl]acetate
CID 108672291
4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626200
(4Z)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-(4-phenylmethoxyphenyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108723124
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-ethoxyphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108589747
1-(4-ethoxyphenyl)-4-hydroxy-2-(2-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108606670
1-(1H-benzimidazol-2-yl)-4-hydroxy-3-propanoyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108590595
(4Z)-4-[(3-chlorophenyl)-hydroxymethylidene]-1-(4-phenylmethoxyphenyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108723112
(4Z)-4-[(4-ethoxy-3-propan-2-ylphenyl)-hydroxymethylidene]-1-(4-phenylmethoxyphenyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108723081
4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2-(3-phenylmethoxyphenyl)-2H-pyrrol-5-one
CID 108712581
1-(3-chloro-4-fluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108589396

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-phenylmethoxyphenyl)-3-propanoyl-2-pyridin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(4-phenylmethoxyphenyl)-3-propanoyl-2-pyridin-2-yl-2H-pyrrol-5-one (CID 108723134) is 4-hydroxy-1-(4-phenylmethoxyphenyl)-3-propanoyl-2-pyridin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(4-phenylmethoxyphenyl)-3-propanoyl-2-pyridin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(4-phenylmethoxyphenyl)-3-propanoyl-2-pyridin-2-yl-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(c2ccc(OCc3ccccc3)cc2)C1c1ccccn1.
What is the InChIKey of 4-hydroxy-1-(4-phenylmethoxyphenyl)-3-propanoyl-2-pyridin-2-yl-2H-pyrrol-5-one?
The InChIKey is KCHNDGAPVUTRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-2-21(28)22-23(20-10-6-7-15-26-20)27(25(30)24(22)29)18-11-13-19(14-12-18)31-16-17-8-4-3-5-9-17/h3-15,23,29H,2,16H2,1H3.
What are the key properties of 4-hydroxy-1-(4-phenylmethoxyphenyl)-3-propanoyl-2-pyridin-2-yl-2H-pyrrol-5-one?
4-hydroxy-1-(4-phenylmethoxyphenyl)-3-propanoyl-2-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 414.46 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-phenylmethoxyphenyl)-3-propanoyl-2-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108723134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).