1-butan-2-yl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione

C14H19N3O3 — CID 60933145

IUPAC1-butan-2-yl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(Nc2ccc(=O)n(C)c2)C1=O
InChIInChI=1S/C14H19N3O3/c1-4-9(2)17-13(19)7-11(14(17)20)15-10-5-6-12(18)16(3)8-10/h5-6,8-9,11,15H,4,7H2,1-3H3
InChIKeyZJJGRWYHPXDJRK-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.72
Rot. Bonds4

About 1-butan-2-yl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione

1-butan-2-yl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione (PubChem CID 60933145) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-butan-2-yl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione
PubChem CID60933145
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-butan-2-yl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(Nc2ccc(=O)n(C)c2)C1=O
InChIInChI=1S/C14H19N3O3/c1-4-9(2)17-13(19)7-11(14(17)20)15-10-5-6-12(18)16(3)8-10/h5-6,8-9,11,15H,4,7H2,1-3H3
InChIKeyZJJGRWYHPXDJRK-UHFFFAOYSA-N
XLogP0.72
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 54867303
3-[(1-ethyl-6-oxo-3-pyridinyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 60934332
1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione
CID 43638292
1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione
CID 43638129
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
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
1-butan-2-yl-3-(2,5-difluoroanilino)pyrrolidine-2,5-dione
CID 43638216
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-methylpropanamide
CID 54950819
1-butan-2-yl-3-(2-fluoro-4-methylanilino)pyrrolidine-2,5-dione
CID 43638252
3-(3-bromo-2-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107633469

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione (CID 60933145) is 1-butan-2-yl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione is CCC(C)N1C(=O)CC(Nc2ccc(=O)n(C)c2)C1=O.
What is the InChIKey of 1-butan-2-yl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione?
The InChIKey is ZJJGRWYHPXDJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-4-9(2)17-13(19)7-11(14(17)20)15-10-5-6-12(18)16(3)8-10/h5-6,8-9,11,15H,4,7H2,1-3H3.
What are the key properties of 1-butan-2-yl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione?
1-butan-2-yl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione has a molecular weight of 277.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 60933145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).