3-[4-(dimethylamino)anilino]-4-phenyl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione

C24H22N4O2 — CID 110594431

IUPAC3-[4-(dimethylamino)anilino]-4-phenyl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
SMILESCN(C)c1ccc(NC2=C(c3ccccc3)C(=O)N(Cc3ccncc3)C2=O)cc1
InChIInChI=1S/C24H22N4O2/c1-27(2)20-10-8-19(9-11-20)26-22-21(18-6-4-3-5-7-18)23(29)28(24(22)30)16-17-12-14-25-15-13-17/h3-15,26H,16H2,1-2H3
InChIKeyNLFPHZUMTVKMLW-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.54
Rot. Bonds6

About 3-[4-(dimethylamino)anilino]-4-phenyl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione

3-[4-(dimethylamino)anilino]-4-phenyl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione (PubChem CID 110594431) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-[4-(dimethylamino)anilino]-4-phenyl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[4-(dimethylamino)anilino]-4-phenyl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
PubChem CID110594431
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name3-[4-(dimethylamino)anilino]-4-phenyl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
SMILESCN(C)c1ccc(NC2=C(c3ccccc3)C(=O)N(Cc3ccncc3)C2=O)cc1
InChIInChI=1S/C24H22N4O2/c1-27(2)20-10-8-19(9-11-20)26-22-21(18-6-4-3-5-7-18)23(29)28(24(22)30)16-17-12-14-25-15-13-17/h3-15,26H,16H2,1-2H3
InChIKeyNLFPHZUMTVKMLW-UHFFFAOYSA-N
XLogP3.54
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-(dimethylamino)anilino]-1-[(4-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594695
1-benzyl-3-[4-(dimethylamino)anilino]-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110588808
3-[4-(dimethylamino)anilino]-4-phenyl-1-propylpyrrole-2,5-dione
CID 110594486
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
3-anilino-4-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110585085
3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-4-[4-(dimethylamino)anilino]pyrrole-2,5-dione
CID 110599080
3-chloro-1-[[4-(dimethylamino)phenyl]methyl]-4-phenylpyrrole-2,5-dione
CID 69148011
N-[4-[4-(4-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110596341
3-[4-(diethylamino)anilino]-1-(pyridin-4-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590741
3-(4-chlorophenyl)-4-[4-(dimethylamino)anilino]-1-(furan-2-ylmethyl)pyrrole-2,5-dione
CID 110599121

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)anilino]-4-phenyl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione?
The IUPAC name of 3-[4-(dimethylamino)anilino]-4-phenyl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione (CID 110594431) is 3-[4-(dimethylamino)anilino]-4-phenyl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[4-(dimethylamino)anilino]-4-phenyl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[4-(dimethylamino)anilino]-4-phenyl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione is CN(C)c1ccc(NC2=C(c3ccccc3)C(=O)N(Cc3ccncc3)C2=O)cc1.
What is the InChIKey of 3-[4-(dimethylamino)anilino]-4-phenyl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione?
The InChIKey is NLFPHZUMTVKMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-27(2)20-10-8-19(9-11-20)26-22-21(18-6-4-3-5-7-18)23(29)28(24(22)30)16-17-12-14-25-15-13-17/h3-15,26H,16H2,1-2H3.
What are the key properties of 3-[4-(dimethylamino)anilino]-4-phenyl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione?
3-[4-(dimethylamino)anilino]-4-phenyl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione has a molecular weight of 398.47 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)anilino]-4-phenyl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110594431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).