1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione

C13H17N3O2 — CID 43638129

IUPAC1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(Nc2cccnc2)C1=O
InChIInChI=1S/C13H17N3O2/c1-3-9(2)16-12(17)7-11(13(16)18)15-10-5-4-6-14-8-10/h4-6,8-9,11,15H,3,7H2,1-2H3
InChIKeyBXHKCCYGFLJCCZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.42
Rot. Bonds4

About 1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione

1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione (PubChem CID 43638129) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione
PubChem CID43638129
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(Nc2cccnc2)C1=O
InChIInChI=1S/C13H17N3O2/c1-3-9(2)16-12(17)7-11(13(16)18)15-10-5-4-6-14-8-10/h4-6,8-9,11,15H,3,7H2,1-2H3
InChIKeyBXHKCCYGFLJCCZ-UHFFFAOYSA-N
XLogP1.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.42
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

1-butan-2-yl-3-(2-pyridin-3-ylethylamino)pyrrolidine-2,5-dione
CID 60914432
1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 43638142
3-(3-bromo-5-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107582972
1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione
CID 43638292
1-butan-2-yl-3-(pyridazin-3-ylmethylamino)pyrrolidine-2,5-dione
CID 106895511
3-(1,3-benzothiazol-6-ylamino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107804197
1-butan-2-yl-3-[(5-methyl-1,2-oxazol-3-yl)amino]pyrrolidine-2,5-dione
CID 43638134
3-(3-bromo-2-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107633469
1-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione
CID 107851903
1-butan-2-yl-3-(2,5-difluoroanilino)pyrrolidine-2,5-dione
CID 43638216
3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107598669
1-butan-2-yl-3-(2-chloro-5-fluoroanilino)pyrrolidine-2,5-dione
CID 107528066

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione (CID 43638129) is 1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione is CCC(C)N1C(=O)CC(Nc2cccnc2)C1=O.
What is the InChIKey of 1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione?
The InChIKey is BXHKCCYGFLJCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-9(2)16-12(17)7-11(13(16)18)15-10-5-4-6-14-8-10/h4-6,8-9,11,15H,3,7H2,1-2H3.
What are the key properties of 1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione?
1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione has a molecular weight of 247.30 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43638129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).