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

C15H21N3O2 — CID 62997074

IUPAC1-butan-2-yl-3-[(6-methyl-3-pyridinyl)methylamino]pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NCc2ccc(C)nc2)C1=O
InChIInChI=1S/C15H21N3O2/c1-4-11(3)18-14(19)7-13(15(18)20)17-9-12-6-5-10(2)16-8-12/h5-6,8,11,13,17H,4,7,9H2,1-3H3
InChIKeyYACNGYZTGBKGOW-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.41
Rot. Bonds5

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

1-butan-2-yl-3-[(6-methyl-3-pyridinyl)methylamino]pyrrolidine-2,5-dione (PubChem CID 62997074) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-butan-2-yl-3-[(6-methyl-3-pyridinyl)methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-[(6-methyl-3-pyridinyl)methylamino]pyrrolidine-2,5-dione
PubChem CID62997074
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-butan-2-yl-3-[(6-methyl-3-pyridinyl)methylamino]pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NCc2ccc(C)nc2)C1=O
InChIInChI=1S/C15H21N3O2/c1-4-11(3)18-14(19)7-13(15(18)20)17-9-12-6-5-10(2)16-8-12/h5-6,8,11,13,17H,4,7,9H2,1-3H3
InChIKeyYACNGYZTGBKGOW-UHFFFAOYSA-N
XLogP1.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.41
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-butan-2-yl-3-[(6-methyl-3-pyridinyl)methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-[(6-methyl-3-pyridinyl)methylamino]pyrrolidine-2,5-dione (CID 62997074) is 1-butan-2-yl-3-[(6-methyl-3-pyridinyl)methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-[(6-methyl-3-pyridinyl)methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-[(6-methyl-3-pyridinyl)methylamino]pyrrolidine-2,5-dione is CCC(C)N1C(=O)CC(NCc2ccc(C)nc2)C1=O.
What is the InChIKey of 1-butan-2-yl-3-[(6-methyl-3-pyridinyl)methylamino]pyrrolidine-2,5-dione?
The InChIKey is YACNGYZTGBKGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-11(3)18-14(19)7-13(15(18)20)17-9-12-6-5-10(2)16-8-12/h5-6,8,11,13,17H,4,7,9H2,1-3H3.
What are the key properties of 1-butan-2-yl-3-[(6-methyl-3-pyridinyl)methylamino]pyrrolidine-2,5-dione?
1-butan-2-yl-3-[(6-methyl-3-pyridinyl)methylamino]pyrrolidine-2,5-dione has a molecular weight of 275.35 g/mol, XLogP of 1.41, 5 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-[(6-methyl-3-pyridinyl)methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 62997074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).