3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione

C26H25N3O2 — CID 110561554

IUPAC3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione
SMILESCCN(CCc1ccncc1)C1=C(c2ccccc2)C(=O)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C26H25N3O2/c1-3-28(18-15-20-13-16-27-17-14-20)24-23(21-7-5-4-6-8-21)25(30)29(26(24)31)22-11-9-19(2)10-12-22/h4-14,16-17H,3,15,18H2,1-2H3
InChIKeyMLNDXHSCHVHIER-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.24
Rot. Bonds7

About 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione

3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione (PubChem CID 110561554) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione
PubChem CID110561554
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione
SMILESCCN(CCc1ccncc1)C1=C(c2ccccc2)C(=O)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C26H25N3O2/c1-3-28(18-15-20-13-16-27-17-14-20)24-23(21-7-5-4-6-8-21)25(30)29(26(24)31)22-11-9-19(2)10-12-22/h4-14,16-17H,3,15,18H2,1-2H3
InChIKeyMLNDXHSCHVHIER-UHFFFAOYSA-N
XLogP4.24
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(dimethylamino)phenyl]-3-[ethyl(2-pyridin-4-ylethyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110571794
1-(3,5-dimethylphenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573340
1-(4-ethoxyphenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]-4-phenylpyrrole-2,5-dione
CID 110560884
4-[3-[ethyl(2-pyridin-4-ylethyl)amino]-4-(4-fluorophenyl)-2,5-dioxopyrrol-1-yl]benzonitrile
CID 110545834
4-[3-[ethyl(2-pyridin-4-ylethyl)amino]-4-(4-methoxyphenyl)-2,5-dioxopyrrol-1-yl]benzonitrile
CID 110558086
3-[ethyl(2-pyridin-4-ylethyl)amino]-4-(4-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110558119
3-[ethyl(2-pyridin-4-ylethyl)amino]-1-hexyl-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572951
3-(3,4-dimethylphenyl)-4-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110549861
3-(2,4-dimethylphenyl)-4-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110580396
1-(2,3-dimethylphenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557501
3-(3,4-dimethylphenyl)-4-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110548396
3-(4-chlorophenyl)-4-[ethyl(2-pyridin-4-ylethyl)amino]-1-propylpyrrole-2,5-dione
CID 110569612

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione (CID 110561554) is 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione is CCN(CCc1ccncc1)C1=C(c2ccccc2)C(=O)N(c2ccc(C)cc2)C1=O.
What is the InChIKey of 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione?
The InChIKey is MLNDXHSCHVHIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-3-28(18-15-20-13-16-27-17-14-20)24-23(21-7-5-4-6-8-21)25(30)29(26(24)31)22-11-9-19(2)10-12-22/h4-14,16-17H,3,15,18H2,1-2H3.
What are the key properties of 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione?
3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione has a molecular weight of 411.51 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110561554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).