1-(5-amino-2-pyridinyl)-3-phenylpyrrolidine-2,5-dione

C15H13N3O2 — CID 62881401

IUPAC1-(5-amino-2-pyridinyl)-3-phenylpyrrolidine-2,5-dione
SMILESNc1ccc(N2C(=O)CC(c3ccccc3)C2=O)nc1
InChIInChI=1S/C15H13N3O2/c16-11-6-7-13(17-9-11)18-14(19)8-12(15(18)20)10-4-2-1-3-5-10/h1-7,9,12H,8,16H2
InChIKeyITHLENPSDJYHAO-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.71
Rot. Bonds2

About 1-(5-amino-2-pyridinyl)-3-phenylpyrrolidine-2,5-dione

1-(5-amino-2-pyridinyl)-3-phenylpyrrolidine-2,5-dione (PubChem CID 62881401) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(5-amino-2-pyridinyl)-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-amino-2-pyridinyl)-3-phenylpyrrolidine-2,5-dione
PubChem CID62881401
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name1-(5-amino-2-pyridinyl)-3-phenylpyrrolidine-2,5-dione
SMILESNc1ccc(N2C(=O)CC(c3ccccc3)C2=O)nc1
InChIInChI=1S/C15H13N3O2/c16-11-6-7-13(17-9-11)18-14(19)8-12(15(18)20)10-4-2-1-3-5-10/h1-7,9,12H,8,16H2
InChIKeyITHLENPSDJYHAO-UHFFFAOYSA-N
XLogP1.71
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-amino-2-pyridinyl)-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-(5-amino-2-pyridinyl)-3-phenylpyrrolidine-2,5-dione (CID 62881401) is 1-(5-amino-2-pyridinyl)-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-amino-2-pyridinyl)-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-amino-2-pyridinyl)-3-phenylpyrrolidine-2,5-dione is Nc1ccc(N2C(=O)CC(c3ccccc3)C2=O)nc1.
What is the InChIKey of 1-(5-amino-2-pyridinyl)-3-phenylpyrrolidine-2,5-dione?
The InChIKey is ITHLENPSDJYHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-11-6-7-13(17-9-11)18-14(19)8-12(15(18)20)10-4-2-1-3-5-10/h1-7,9,12H,8,16H2.
What are the key properties of 1-(5-amino-2-pyridinyl)-3-phenylpyrrolidine-2,5-dione?
1-(5-amino-2-pyridinyl)-3-phenylpyrrolidine-2,5-dione has a molecular weight of 267.29 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-pyridinyl)-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 62881401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).