3-(4-ethylanilino)-4-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione

C25H23N3O3 — CID 110597544

IUPAC3-(4-ethylanilino)-4-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
SMILESCCc1ccc(NC2=C(c3ccccc3OC)C(=O)N(Cc3ccncc3)C2=O)cc1
InChIInChI=1S/C25H23N3O3/c1-3-17-8-10-19(11-9-17)27-23-22(20-6-4-5-7-21(20)31-2)24(29)28(25(23)30)16-18-12-14-26-15-13-18/h4-15,27H,3,16H2,1-2H3
InChIKeyJZKGMDHGYAOUQD-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.04
Rot. Bonds7

About 3-(4-ethylanilino)-4-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione

3-(4-ethylanilino)-4-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione (PubChem CID 110597544) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-(4-ethylanilino)-4-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-ethylanilino)-4-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
PubChem CID110597544
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name3-(4-ethylanilino)-4-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
SMILESCCc1ccc(NC2=C(c3ccccc3OC)C(=O)N(Cc3ccncc3)C2=O)cc1
InChIInChI=1S/C25H23N3O3/c1-3-17-8-10-19(11-9-17)27-23-22(20-6-4-5-7-21(20)31-2)24(29)28(25(23)30)16-18-12-14-26-15-13-18/h4-15,27H,3,16H2,1-2H3
InChIKeyJZKGMDHGYAOUQD-UHFFFAOYSA-N
XLogP4.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethylanilino)-4-(2-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110597492
3-(3-fluoroanilino)-1-[(4-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110597775
3-[4-(diethylamino)anilino]-4-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110597505
3-(2-methoxyphenyl)-1-[(4-methylphenyl)methyl]-4-(4-pyrrolidin-1-ylanilino)pyrrole-2,5-dione
CID 110597427
N-[4-[4-(4-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110596341
1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598647
1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110594470
3-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110565691
3-(1,3-benzodioxol-5-ylamino)-1-[(4-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566210
1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598509
1-(3-chloro-4-fluorophenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598272
3-[4-(dimethylamino)anilino]-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione
CID 110597587

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylanilino)-4-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-ethylanilino)-4-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione (CID 110597544) is 3-(4-ethylanilino)-4-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-ethylanilino)-4-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-ethylanilino)-4-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione is CCc1ccc(NC2=C(c3ccccc3OC)C(=O)N(Cc3ccncc3)C2=O)cc1.
What is the InChIKey of 3-(4-ethylanilino)-4-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione?
The InChIKey is JZKGMDHGYAOUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-3-17-8-10-19(11-9-17)27-23-22(20-6-4-5-7-21(20)31-2)24(29)28(25(23)30)16-18-12-14-26-15-13-18/h4-15,27H,3,16H2,1-2H3.
What are the key properties of 3-(4-ethylanilino)-4-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione?
3-(4-ethylanilino)-4-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione has a molecular weight of 413.48 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylanilino)-4-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110597544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).