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

C13H17N3O2 — CID 43636248

IUPAC1-propyl-3-(pyridin-2-ylmethylamino)pyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NCc2ccccn2)C1=O
InChIInChI=1S/C13H17N3O2/c1-2-7-16-12(17)8-11(13(16)18)15-9-10-5-3-4-6-14-10/h3-6,11,15H,2,7-9H2,1H3
InChIKeyZJUPCXSGAIEFPX-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.71
Rot. Bonds5

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

1-propyl-3-(pyridin-2-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 43636248) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-propyl-3-(pyridin-2-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-propyl-3-(pyridin-2-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID43636248
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-propyl-3-(pyridin-2-ylmethylamino)pyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NCc2ccccn2)C1=O
InChIInChI=1S/C13H17N3O2/c1-2-7-16-12(17)8-11(13(16)18)15-9-10-5-3-4-6-14-10/h3-6,11,15H,2,7-9H2,1H3
InChIKeyZJUPCXSGAIEFPX-UHFFFAOYSA-N
XLogP0.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-imidazol-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 64532404
3-(furan-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 43636084
1-ethyl-3-[(3-ethyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione
CID 82735197
3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 134109848
1-propan-2-yl-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione
CID 43636523
(2S)-2-[(3S)-2-oxo-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]propanoic acid
CID 69066892
3-[1-(2-fluorophenyl)ethylamino]-1-propylpyrrolidine-2,5-dione
CID 60933603
3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
CID 102582008
3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 43636704
1-butan-2-yl-3-(pyridazin-3-ylmethylamino)pyrrolidine-2,5-dione
CID 106895511
3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
CID 60923821
3-(pyridin-2-ylmethylamino)piperidin-2-one
CID 62092104

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(pyridin-2-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-propyl-3-(pyridin-2-ylmethylamino)pyrrolidine-2,5-dione (CID 43636248) is 1-propyl-3-(pyridin-2-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-propyl-3-(pyridin-2-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-propyl-3-(pyridin-2-ylmethylamino)pyrrolidine-2,5-dione is CCCN1C(=O)CC(NCc2ccccn2)C1=O.
What is the InChIKey of 1-propyl-3-(pyridin-2-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is ZJUPCXSGAIEFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-7-16-12(17)8-11(13(16)18)15-9-10-5-3-4-6-14-10/h3-6,11,15H,2,7-9H2,1H3.
What are the key properties of 1-propyl-3-(pyridin-2-ylmethylamino)pyrrolidine-2,5-dione?
1-propyl-3-(pyridin-2-ylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 247.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(pyridin-2-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43636248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).