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

C15H21N3O2 — CID 60914432

IUPAC1-butan-2-yl-3-(2-pyridin-3-ylethylamino)pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NCCc2cccnc2)C1=O
InChIInChI=1S/C15H21N3O2/c1-3-11(2)18-14(19)9-13(15(18)20)17-8-6-12-5-4-7-16-10-12/h4-5,7,10-11,13,17H,3,6,8-9H2,1-2H3
InChIKeyULKGELROHHMBKS-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.14
Rot. Bonds6

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

1-butan-2-yl-3-(2-pyridin-3-ylethylamino)pyrrolidine-2,5-dione (PubChem CID 60914432) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-butan-2-yl-3-(2-pyridin-3-ylethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-(2-pyridin-3-ylethylamino)pyrrolidine-2,5-dione
PubChem CID60914432
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-butan-2-yl-3-(2-pyridin-3-ylethylamino)pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NCCc2cccnc2)C1=O
InChIInChI=1S/C15H21N3O2/c1-3-11(2)18-14(19)9-13(15(18)20)17-8-6-12-5-4-7-16-10-12/h4-5,7,10-11,13,17H,3,6,8-9H2,1-2H3
InChIKeyULKGELROHHMBKS-UHFFFAOYSA-N
XLogP1.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.14
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-phenylethylamino)pyrrolidine-2,5-dione
CID 43638139
1-butan-2-yl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pyrrolidine-2,5-dione
CID 80682213
1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione
CID 43638129
1-butan-2-yl-3-[(6-methyl-3-pyridinyl)methylamino]pyrrolidine-2,5-dione
CID 62997074
1-butan-2-yl-3-(pyridazin-3-ylmethylamino)pyrrolidine-2,5-dione
CID 106895511
3-[2-(3-fluorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636840
1-butan-2-yl-3-(2-cyclopentylethylamino)pyrrolidine-2,5-dione
CID 54932695
3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione
CID 60779664
1-butan-2-yl-3-(3-pyrrolidin-1-ylpropylamino)pyrrolidine-2,5-dione
CID 62991310
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-ethylacetamide
CID 43638316
1-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione
CID 107851903
3-(2-pyridin-3-ylethylamino)piperidin-2-one
CID 63264736

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(2-pyridin-3-ylethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-(2-pyridin-3-ylethylamino)pyrrolidine-2,5-dione (CID 60914432) is 1-butan-2-yl-3-(2-pyridin-3-ylethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-(2-pyridin-3-ylethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-(2-pyridin-3-ylethylamino)pyrrolidine-2,5-dione is CCC(C)N1C(=O)CC(NCCc2cccnc2)C1=O.
What is the InChIKey of 1-butan-2-yl-3-(2-pyridin-3-ylethylamino)pyrrolidine-2,5-dione?
The InChIKey is ULKGELROHHMBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-11(2)18-14(19)9-13(15(18)20)17-8-6-12-5-4-7-16-10-12/h4-5,7,10-11,13,17H,3,6,8-9H2,1-2H3.
What are the key properties of 1-butan-2-yl-3-(2-pyridin-3-ylethylamino)pyrrolidine-2,5-dione?
1-butan-2-yl-3-(2-pyridin-3-ylethylamino)pyrrolidine-2,5-dione has a molecular weight of 275.35 g/mol, XLogP of 1.14, 6 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-(2-pyridin-3-ylethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 60914432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).