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

C16H14IN3O2 — CID 4764942

IUPAC1-(2-iodophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2ccncc2)C(=O)N1c1ccccc1I
InChIInChI=1S/C16H14IN3O2/c17-12-3-1-2-4-14(12)20-15(21)9-13(16(20)22)19-10-11-5-7-18-8-6-11/h1-8,13,19H,9-10H2
InChIKeyZOUWTUJRALNAIW-UHFFFAOYSA-N
MW407.21 g/mol
LogP2.11
Rot. Bonds4

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

1-(2-iodophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 4764942) has the molecular formula C16H14IN3O2 and a molecular weight of 407.21 g/mol. Its IUPAC name is 1-(2-iodophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-iodophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID4764942
Molecular FormulaC16H14IN3O2
Molecular Weight407.21 g/mol
Exact Mass407.01
IUPAC Name1-(2-iodophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2ccncc2)C(=O)N1c1ccccc1I
InChIInChI=1S/C16H14IN3O2/c17-12-3-1-2-4-14(12)20-15(21)9-13(16(20)22)19-10-11-5-7-18-8-6-11/h1-8,13,19H,9-10H2
InChIKeyZOUWTUJRALNAIW-UHFFFAOYSA-N
XLogP2.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.21
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-iodophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione (CID 4764942) is 1-(2-iodophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-iodophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-iodophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione is O=C1CC(NCc2ccncc2)C(=O)N1c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is ZOUWTUJRALNAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14IN3O2/c17-12-3-1-2-4-14(12)20-15(21)9-13(16(20)22)19-10-11-5-7-18-8-6-11/h1-8,13,19H,9-10H2.
What are the key properties of 1-(2-iodophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
1-(2-iodophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 407.21 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 4764942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).