2-(3,4-diethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one

C25H24N2O6 — CID 3393555

IUPAC2-(3,4-diethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
SMILESCCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccncc2)cc1OCC
InChIInChI=1S/C25H24N2O6/c1-3-31-18-8-7-17(14-20(18)32-4-2)22-21(23(28)19-6-5-13-33-19)24(29)25(30)27(22)15-16-9-11-26-12-10-16/h5-14,22,29H,3-4,15H2,1-2H3
InChIKeyFTHXNTAENOMFPK-UHFFFAOYSA-N
MW448.48 g/mol
LogP4.25
Rot. Bonds9

About 2-(3,4-diethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one

2-(3,4-diethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one (PubChem CID 3393555) has the molecular formula C25H24N2O6 and a molecular weight of 448.48 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
PubChem CID3393555
Molecular FormulaC25H24N2O6
Molecular Weight448.48 g/mol
Exact Mass448.16
IUPAC Name2-(3,4-diethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
SMILESCCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccncc2)cc1OCC
InChIInChI=1S/C25H24N2O6/c1-3-31-18-8-7-17(14-20(18)32-4-2)22-21(23(28)19-6-5-13-33-19)24(29)25(30)27(22)15-16-9-11-26-12-10-16/h5-14,22,29H,3-4,15H2,1-2H3
InChIKeyFTHXNTAENOMFPK-UHFFFAOYSA-N
XLogP4.25
TPSA102.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-butoxy-3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 3399583
(2R)-1-benzyl-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 7274668
2-(4-butoxy-3-ethoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
CID 3399582
2-(3-ethoxy-4-prop-2-enoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
CID 3396728
3-(furan-2-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 3154080
2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108600418
2-(3-ethoxy-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108615487
2-(3-ethoxy-4-propoxyphenyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3374589
2-(3-ethoxy-4-prop-2-enoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 3396730
1-[3-(dimethylamino)propyl]-2-(3-ethoxy-4-propoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 3394448
(2S)-2-(3,4-diethoxyphenyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 27304806
2-(3,4-diethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2H-pyrrol-5-one
CID 5031333

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(3,4-diethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one (CID 3393555) is 2-(3,4-diethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one is CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccncc2)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is FTHXNTAENOMFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O6/c1-3-31-18-8-7-17(14-20(18)32-4-2)22-21(23(28)19-6-5-13-33-19)24(29)25(30)27(22)15-16-9-11-26-12-10-16/h5-14,22,29H,3-4,15H2,1-2H3.
What are the key properties of 2-(3,4-diethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
2-(3,4-diethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 448.48 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3393555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).