3-[[6-(ethylamino)-2-pyridinyl]amino]-1-methylpyrrolidine-2,5-dione

C12H16N4O2 — CID 80856588

IUPAC3-[[6-(ethylamino)-2-pyridinyl]amino]-1-methylpyrrolidine-2,5-dione
SMILESCCNc1cccc(NC2CC(=O)N(C)C2=O)n1
InChIInChI=1S/C12H16N4O2/c1-3-13-9-5-4-6-10(15-9)14-8-7-11(17)16(2)12(8)18/h4-6,8H,3,7H2,1-2H3,(H2,13,14,15)
InChIKeyQKRUTGFIFYCNBM-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.68
Rot. Bonds4

About 3-[[6-(ethylamino)-2-pyridinyl]amino]-1-methylpyrrolidine-2,5-dione

3-[[6-(ethylamino)-2-pyridinyl]amino]-1-methylpyrrolidine-2,5-dione (PubChem CID 80856588) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-2-pyridinyl]amino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[6-(ethylamino)-2-pyridinyl]amino]-1-methylpyrrolidine-2,5-dione
PubChem CID80856588
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-[[6-(ethylamino)-2-pyridinyl]amino]-1-methylpyrrolidine-2,5-dione
SMILESCCNc1cccc(NC2CC(=O)N(C)C2=O)n1
InChIInChI=1S/C12H16N4O2/c1-3-13-9-5-4-6-10(15-9)14-8-7-11(17)16(2)12(8)18/h4-6,8H,3,7H2,1-2H3,(H2,13,14,15)
InChIKeyQKRUTGFIFYCNBM-UHFFFAOYSA-N
XLogP0.68
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione
CID 80959483
3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-1-methylpyrrolidine-2,5-dione
CID 80831659
3-[(5-tert-butyl-2-pyridinyl)amino]-1-methylpyrrolidine-2,5-dione
CID 107874760
1-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pyrrolidine-2,5-dione
CID 136956871
3-[[6-(ethylamino)pyrazin-2-yl]amino]-1-methylpiperidine-2,6-dione
CID 80855845
1-methyl-3-[[2-(methylamino)pyrimidin-4-yl]amino]pyrrolidine-2,5-dione
CID 80856368
3-[[6-(ethylamino)-2-pyridinyl]amino]piperidin-2-one
CID 80817247
6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine
CID 107855387
3-[(5,6-dimethylpyrazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 114475935
3-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 80951811
3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 54960598
3-(1H-benzimidazol-2-ylamino)-1-methylpyrrolidine-2,5-dione
CID 63562926

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-2-pyridinyl]amino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[[6-(ethylamino)-2-pyridinyl]amino]-1-methylpyrrolidine-2,5-dione (CID 80856588) is 3-[[6-(ethylamino)-2-pyridinyl]amino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[6-(ethylamino)-2-pyridinyl]amino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[[6-(ethylamino)-2-pyridinyl]amino]-1-methylpyrrolidine-2,5-dione is CCNc1cccc(NC2CC(=O)N(C)C2=O)n1.
What is the InChIKey of 3-[[6-(ethylamino)-2-pyridinyl]amino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is QKRUTGFIFYCNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-3-13-9-5-4-6-10(15-9)14-8-7-11(17)16(2)12(8)18/h4-6,8H,3,7H2,1-2H3,(H2,13,14,15).
What are the key properties of 3-[[6-(ethylamino)-2-pyridinyl]amino]-1-methylpyrrolidine-2,5-dione?
3-[[6-(ethylamino)-2-pyridinyl]amino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 248.29 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)-2-pyridinyl]amino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 80856588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).