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

C19H18N2O4 — CID 108617309

IUPAC4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(Cc2ccncc2)C1c1ccc(O)cc1
InChIInChI=1S/C19H18N2O4/c1-2-15(23)16-17(13-3-5-14(22)6-4-13)21(19(25)18(16)24)11-12-7-9-20-10-8-12/h3-10,17,22,24H,2,11H2,1H3
InChIKeyQPCKSTYEPKYLOC-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.66
Rot. Bonds5

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

4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one (PubChem CID 108617309) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
PubChem CID108617309
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(Cc2ccncc2)C1c1ccc(O)cc1
InChIInChI=1S/C19H18N2O4/c1-2-15(23)16-17(13-3-5-14(22)6-4-13)21(19(25)18(16)24)11-12-7-9-20-10-8-12/h3-10,17,22,24H,2,11H2,1H3
InChIKeyQPCKSTYEPKYLOC-UHFFFAOYSA-N
XLogP2.66
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-3-propanoyl-2-pyridin-4-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108632042
2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108642910
2-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108711310
2-(4-chlorophenyl)-4-hydroxy-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108600270
1-[(4-fluorophenyl)methyl]-4-hydroxy-2-(4-hydroxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108583299
4-hydroxy-2-phenyl-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108639985
2-(3,4-dichlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108695406
2-(3,4-dichlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108695407
2-[4-(dimethylamino)phenyl]-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108707108
1-(4-chlorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108582601
4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108594177
4-hydroxy-1-(2-hydroxyphenyl)-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108632810

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one (CID 108617309) is 4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(Cc2ccncc2)C1c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is QPCKSTYEPKYLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-2-15(23)16-17(13-3-5-14(22)6-4-13)21(19(25)18(16)24)11-12-7-9-20-10-8-12/h3-10,17,22,24H,2,11H2,1H3.
What are the key properties of 4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 338.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108617309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).