3-methyl-1-[[6-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione

C15H13F3N4O3 — CID 177168140

IUPAC3-methyl-1-[[6-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(N3CCCC3=O)n2)C1=O
InChIInChI=1S/C15H13F3N4O3/c1-8-7-12(24)22(14(8)25)20-10-5-4-9(15(16,17)18)13(19-10)21-6-2-3-11(21)23/h4-5,7H,2-3,6H2,1H3,(H,19,20)
InChIKeyCMYNCMVRPRXGFV-UHFFFAOYSA-N
MW354.29 g/mol
LogP1.87
Rot. Bonds3

About 3-methyl-1-[[6-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione

3-methyl-1-[[6-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione (PubChem CID 177168140) has the molecular formula C15H13F3N4O3 and a molecular weight of 354.29 g/mol. Its IUPAC name is 3-methyl-1-[[6-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[[6-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
PubChem CID177168140
Molecular FormulaC15H13F3N4O3
Molecular Weight354.29 g/mol
Exact Mass354.09
IUPAC Name3-methyl-1-[[6-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(N3CCCC3=O)n2)C1=O
InChIInChI=1S/C15H13F3N4O3/c1-8-7-12(24)22(14(8)25)20-10-5-4-9(15(16,17)18)13(19-10)21-6-2-3-11(21)23/h4-5,7H,2-3,6H2,1H3,(H,19,20)
InChIKeyCMYNCMVRPRXGFV-UHFFFAOYSA-N
XLogP1.87
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-methyl-1-[[6-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazol-3-one
CID 66020846
5-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
CID 176119614
3-Methyl-1-[[6-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
CID 177167959
1-[[6-(2-Azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177167965
3-Methyl-1-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
CID 177167968
1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-propan-2-ylpyrrole-2,5-dione
CID 177167985
1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-2H-pyrrol-5-one
CID 177167991
1-[[6-[(3R)-3-methoxypyrrolidin-1-yl]-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168013
1-[[6-(3-Azabicyclo[3.1.0]hexan-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168027
1-[[5,6-Bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168039
1-[[6-[(3S)-3-methoxypyrrolidin-1-yl]-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168054
1-[[6-(3,3-Difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione
CID 177168064

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[6-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-[[6-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione (CID 177168140) is 3-methyl-1-[[6-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-[[6-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-[[6-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione is CC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(N3CCCC3=O)n2)C1=O.
What is the InChIKey of 3-methyl-1-[[6-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione?
The InChIKey is CMYNCMVRPRXGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O3/c1-8-7-12(24)22(14(8)25)20-10-5-4-9(15(16,17)18)13(19-10)21-6-2-3-11(21)23/h4-5,7H,2-3,6H2,1H3,(H,19,20).
What are the key properties of 3-methyl-1-[[6-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione?
3-methyl-1-[[6-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione has a molecular weight of 354.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[6-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione is sourced from PubChem (CID 177168140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).