1-(4-methoxyphenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione

C17H17N3O3 — CID 2877659

IUPAC1-(4-methoxyphenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(NCc3ccncc3)C2=O)cc1
InChIInChI=1S/C17H17N3O3/c1-23-14-4-2-13(3-5-14)20-16(21)10-15(17(20)22)19-11-12-6-8-18-9-7-12/h2-9,15,19H,10-11H2,1H3
InChIKeyWROBVBYFOJNARO-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.51
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione

1-(4-methoxyphenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 2877659) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID2877659
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name1-(4-methoxyphenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(NCc3ccncc3)C2=O)cc1
InChIInChI=1S/C17H17N3O3/c1-23-14-4-2-13(3-5-14)20-16(21)10-15(17(20)22)19-11-12-6-8-18-9-7-12/h2-9,15,19H,10-11H2,1H3
InChIKeyWROBVBYFOJNARO-UHFFFAOYSA-N
XLogP1.51
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-methoxyphenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione (CID 2877659) is 1-(4-methoxyphenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione is COc1ccc(N2C(=O)CC(NCc3ccncc3)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is WROBVBYFOJNARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-23-14-4-2-13(3-5-14)20-16(21)10-15(17(20)22)19-11-12-6-8-18-9-7-12/h2-9,15,19H,10-11H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
1-(4-methoxyphenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 311.34 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2877659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).