N-[4-[4-(4-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide

C26H24N4O3 — CID 110596341

IUPACN-[4-[4-(4-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide
SMILESCCc1ccc(NC2=C(c3ccc(NC(C)=O)cc3)C(=O)N(Cc3ccncc3)C2=O)cc1
InChIInChI=1S/C26H24N4O3/c1-3-18-4-8-22(9-5-18)29-24-23(20-6-10-21(11-7-20)28-17(2)31)25(32)30(26(24)33)16-19-12-14-27-15-13-19/h4-15,29H,3,16H2,1-2H3,(H,28,31)
InChIKeyUEGKEMOMOQIXSX-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.99
Rot. Bonds7

About N-[4-[4-(4-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide

N-[4-[4-(4-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide (PubChem CID 110596341) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[4-[4-(4-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(4-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide
PubChem CID110596341
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-[4-[4-(4-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide
SMILESCCc1ccc(NC2=C(c3ccc(NC(C)=O)cc3)C(=O)N(Cc3ccncc3)C2=O)cc1
InChIInChI=1S/C26H24N4O3/c1-3-18-4-8-22(9-5-18)29-24-23(20-6-10-21(11-7-20)28-17(2)31)25(32)30(26(24)33)16-19-12-14-27-15-13-19/h4-15,29H,3,16H2,1-2H3,(H,28,31)
InChIKeyUEGKEMOMOQIXSX-UHFFFAOYSA-N
XLogP3.99
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-[4-(dimethylamino)anilino]-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110596332
3-(4-ethylanilino)-4-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110600475
N-[4-[4-anilino-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596276
3-(4-fluoroanilino)-4-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110586188
1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110594470
N-[4-[4-(3-fluoroanilino)-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596270
N-[4-[2,5-dioxo-4-piperidin-1-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110562490
3-(4-ethylanilino)-4-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110597544
N-[4-[4-(N-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110562507
3-[4-(dimethylamino)anilino]-4-phenyl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110594431
N-[4-[4-(4-ethylanilino)-1-(2-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596802
3-(3,4-dimethylanilino)-4-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110586197

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(4-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide (CID 110596341) is N-[4-[4-(4-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(4-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(4-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide is CCc1ccc(NC2=C(c3ccc(NC(C)=O)cc3)C(=O)N(Cc3ccncc3)C2=O)cc1.
What is the InChIKey of N-[4-[4-(4-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide?
The InChIKey is UEGKEMOMOQIXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-3-18-4-8-22(9-5-18)29-24-23(20-6-10-21(11-7-20)28-17(2)31)25(32)30(26(24)33)16-19-12-14-27-15-13-19/h4-15,29H,3,16H2,1-2H3,(H,28,31).
What are the key properties of N-[4-[4-(4-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide?
N-[4-[4-(4-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide has a molecular weight of 440.50 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110596341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).