3-[(1-ethyl-6-oxo-3-pyridinyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione

C14H19N3O3 — CID 60934332

IUPAC3-[(1-ethyl-6-oxo-3-pyridinyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCCn1cc(NC2CC(=O)N(C(C)C)C2=O)ccc1=O
InChIInChI=1S/C14H19N3O3/c1-4-16-8-10(5-6-12(16)18)15-11-7-13(19)17(9(2)3)14(11)20/h5-6,8-9,11,15H,4,7H2,1-3H3
InChIKeyXHQIRNSDUOYFLY-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.82
Rot. Bonds4

About 3-[(1-ethyl-6-oxo-3-pyridinyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione

3-[(1-ethyl-6-oxo-3-pyridinyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 60934332) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[(1-ethyl-6-oxo-3-pyridinyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(1-ethyl-6-oxo-3-pyridinyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID60934332
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-[(1-ethyl-6-oxo-3-pyridinyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCCn1cc(NC2CC(=O)N(C(C)C)C2=O)ccc1=O
InChIInChI=1S/C14H19N3O3/c1-4-16-8-10(5-6-12(16)18)15-11-7-13(19)17(9(2)3)14(11)20/h5-6,8-9,11,15H,4,7H2,1-3H3
InChIKeyXHQIRNSDUOYFLY-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-6-oxo-3-pyridinyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(1-ethyl-6-oxo-3-pyridinyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione (CID 60934332) is 3-[(1-ethyl-6-oxo-3-pyridinyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(1-ethyl-6-oxo-3-pyridinyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(1-ethyl-6-oxo-3-pyridinyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione is CCn1cc(NC2CC(=O)N(C(C)C)C2=O)ccc1=O.
What is the InChIKey of 3-[(1-ethyl-6-oxo-3-pyridinyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is XHQIRNSDUOYFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-4-16-8-10(5-6-12(16)18)15-11-7-13(19)17(9(2)3)14(11)20/h5-6,8-9,11,15H,4,7H2,1-3H3.
What are the key properties of 3-[(1-ethyl-6-oxo-3-pyridinyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
3-[(1-ethyl-6-oxo-3-pyridinyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 277.32 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-6-oxo-3-pyridinyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 60934332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).