3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione

C24H27N3O3 — CID 110548709

IUPAC3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CC(C)OC(C)C3)C(=O)N(Cc3ccncc3)C2=O)cc1C
InChIInChI=1S/C24H27N3O3/c1-15-5-6-20(11-16(15)2)21-22(26-12-17(3)30-18(4)13-26)24(29)27(23(21)28)14-19-7-9-25-10-8-19/h5-11,17-18H,12-14H2,1-4H3
InChIKeyZSQNAZQBMXIZLL-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.09
Rot. Bonds4

About 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione

3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione (PubChem CID 110548709) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
PubChem CID110548709
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CC(C)OC(C)C3)C(=O)N(Cc3ccncc3)C2=O)cc1C
InChIInChI=1S/C24H27N3O3/c1-15-5-6-20(11-16(15)2)21-22(26-12-17(3)30-18(4)13-26)24(29)27(23(21)28)14-19-7-9-25-10-8-19/h5-11,17-18H,12-14H2,1-4H3
InChIKeyZSQNAZQBMXIZLL-UHFFFAOYSA-N
XLogP3.09
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110548440
1-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrole-2,5-dione
CID 110548464
3-(3,4-dimethylphenyl)-1-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110548673
3-(3,4-dimethylphenyl)-4-[3-(hydroxymethyl)piperidin-1-yl]-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110548693
3-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110549212
3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110569396
3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110578849
3-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110563982
3-(2,6-dimethylmorpholin-4-yl)-1-[(4-fluorophenyl)methyl]-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541634
3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572130
3-(2,6-dimethylmorpholin-4-yl)-4-[4-(2-methylpropoxy)phenyl]-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110551085
3-(2,6-dimethylmorpholin-4-yl)-1-[(2-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572836

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione (CID 110548709) is 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione is Cc1ccc(C2=C(N3CC(C)OC(C)C3)C(=O)N(Cc3ccncc3)C2=O)cc1C.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione?
The InChIKey is ZSQNAZQBMXIZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-15-5-6-20(11-16(15)2)21-22(26-12-17(3)30-18(4)13-26)24(29)27(23(21)28)14-19-7-9-25-10-8-19/h5-11,17-18H,12-14H2,1-4H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione?
3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione has a molecular weight of 405.50 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110548709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).