1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione

C13H17N3O2 — CID 63063639

IUPAC1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(c2ccncc2N)C1=O
InChIInChI=1S/C13H17N3O2/c1-3-13(4-2)7-11(17)16(12(13)18)10-5-6-15-8-9(10)14/h5-6,8H,3-4,7,14H2,1-2H3
InChIKeyVSHQLKAFDRKDPW-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.73
Rot. Bonds3

About 1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione

1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione (PubChem CID 63063639) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione
PubChem CID63063639
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(c2ccncc2N)C1=O
InChIInChI=1S/C13H17N3O2/c1-3-13(4-2)7-11(17)16(12(13)18)10-5-6-15-8-9(10)14/h5-6,8H,3-4,7,14H2,1-2H3
InChIKeyVSHQLKAFDRKDPW-UHFFFAOYSA-N
XLogP1.73
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione (CID 63063639) is 1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(c2ccncc2N)C1=O.
What is the InChIKey of 1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione?
The InChIKey is VSHQLKAFDRKDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-13(4-2)7-11(17)16(12(13)18)10-5-6-15-8-9(10)14/h5-6,8H,3-4,7,14H2,1-2H3.
What are the key properties of 1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione?
1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione has a molecular weight of 247.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione is sourced from PubChem (CID 63063639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).