1-cyclopropyl-3-[(4-methyl-3-pyridinyl)amino]pyrrolidine-2,5-dione

C13H15N3O2 — CID 55202075

IUPAC1-cyclopropyl-3-[(4-methyl-3-pyridinyl)amino]pyrrolidine-2,5-dione
SMILESCc1ccncc1NC1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C13H15N3O2/c1-8-4-5-14-7-11(8)15-10-6-12(17)16(13(10)18)9-2-3-9/h4-5,7,9-10,15H,2-3,6H2,1H3
InChIKeyOSBPXFVVOMZHDG-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.09
Rot. Bonds3

About 1-cyclopropyl-3-[(4-methyl-3-pyridinyl)amino]pyrrolidine-2,5-dione

1-cyclopropyl-3-[(4-methyl-3-pyridinyl)amino]pyrrolidine-2,5-dione (PubChem CID 55202075) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(4-methyl-3-pyridinyl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-[(4-methyl-3-pyridinyl)amino]pyrrolidine-2,5-dione
PubChem CID55202075
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-cyclopropyl-3-[(4-methyl-3-pyridinyl)amino]pyrrolidine-2,5-dione
SMILESCc1ccncc1NC1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C13H15N3O2/c1-8-4-5-14-7-11(8)15-10-6-12(17)16(13(10)18)9-2-3-9/h4-5,7,9-10,15H,2-3,6H2,1H3
InChIKeyOSBPXFVVOMZHDG-UHFFFAOYSA-N
XLogP1.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.09
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-cyclopropyl-3-[(4-methyl-3-pyridinyl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopropyl-3-[(4-methyl-3-pyridinyl)amino]pyrrolidine-2,5-dione (CID 55202075) is 1-cyclopropyl-3-[(4-methyl-3-pyridinyl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopropyl-3-[(4-methyl-3-pyridinyl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopropyl-3-[(4-methyl-3-pyridinyl)amino]pyrrolidine-2,5-dione is Cc1ccncc1NC1CC(=O)N(C2CC2)C1=O.
What is the InChIKey of 1-cyclopropyl-3-[(4-methyl-3-pyridinyl)amino]pyrrolidine-2,5-dione?
The InChIKey is OSBPXFVVOMZHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-4-5-14-7-11(8)15-10-6-12(17)16(13(10)18)9-2-3-9/h4-5,7,9-10,15H,2-3,6H2,1H3.
What are the key properties of 1-cyclopropyl-3-[(4-methyl-3-pyridinyl)amino]pyrrolidine-2,5-dione?
1-cyclopropyl-3-[(4-methyl-3-pyridinyl)amino]pyrrolidine-2,5-dione has a molecular weight of 245.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(4-methyl-3-pyridinyl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 55202075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).