3-[benzyl(ethyl)amino]-4-(2-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione

C26H25N3O3 — CID 110565636

IUPAC3-[benzyl(ethyl)amino]-4-(2-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
SMILESCCN(Cc1ccccc1)C1=C(c2ccccc2OC)C(=O)N(Cc2ccccn2)C1=O
InChIInChI=1S/C26H25N3O3/c1-3-28(17-19-11-5-4-6-12-19)24-23(21-14-7-8-15-22(21)32-2)25(30)29(26(24)31)18-20-13-9-10-16-27-20/h4-16H,3,17-18H2,1-2H3
InChIKeyLYMLTQVCYNWAIA-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.89
Rot. Bonds8

About 3-[benzyl(ethyl)amino]-4-(2-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione

3-[benzyl(ethyl)amino]-4-(2-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione (PubChem CID 110565636) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-4-(2-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-4-(2-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
PubChem CID110565636
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name3-[benzyl(ethyl)amino]-4-(2-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
SMILESCCN(Cc1ccccc1)C1=C(c2ccccc2OC)C(=O)N(Cc2ccccn2)C1=O
InChIInChI=1S/C26H25N3O3/c1-3-28(17-19-11-5-4-6-12-19)24-23(21-14-7-8-15-22(21)32-2)25(30)29(26(24)31)18-20-13-9-10-16-27-20/h4-16H,3,17-18H2,1-2H3
InChIKeyLYMLTQVCYNWAIA-UHFFFAOYSA-N
XLogP3.89
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[benzyl(ethyl)amino]-4-(4-methylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110572179
3-[benzyl(ethyl)amino]-1-butyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565810
3-[benzyl(ethyl)amino]-4-(4-nitrophenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110541122
3-(4-ethylanilino)-4-(2-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110597492
3-[benzyl(ethyl)amino]-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110558909
3-[benzyl(methyl)amino]-4-(4-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110543505
3-(3-fluoroanilino)-4-(2-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110597483
3-[benzyl(ethyl)amino]-4-(3,4-dimethoxyphenyl)-1-propylpyrrole-2,5-dione
CID 110564113
3-[benzyl(ethyl)amino]-4-(4-ethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110546452
3-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-1-pentylpyrrole-2,5-dione
CID 110565770
3-[bis(2-methoxyethyl)amino]-4-(2-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110565402
1-benzyl-3-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110565731

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-4-(2-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione?
The IUPAC name of 3-[benzyl(ethyl)amino]-4-(2-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione (CID 110565636) is 3-[benzyl(ethyl)amino]-4-(2-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-4-(2-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[benzyl(ethyl)amino]-4-(2-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione is CCN(Cc1ccccc1)C1=C(c2ccccc2OC)C(=O)N(Cc2ccccn2)C1=O.
What is the InChIKey of 3-[benzyl(ethyl)amino]-4-(2-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione?
The InChIKey is LYMLTQVCYNWAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-3-28(17-19-11-5-4-6-12-19)24-23(21-14-7-8-15-22(21)32-2)25(30)29(26(24)31)18-20-13-9-10-16-27-20/h4-16H,3,17-18H2,1-2H3.
What are the key properties of 3-[benzyl(ethyl)amino]-4-(2-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione?
3-[benzyl(ethyl)amino]-4-(2-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione has a molecular weight of 427.50 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-4-(2-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110565636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).