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

C15H15F3N4O2 — CID 177168127

IUPAC3-methyl-1-[[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(N3CCCC3)n2)C1=O
InChIInChI=1S/C15H15F3N4O2/c1-9-8-12(23)22(14(9)24)20-11-5-4-10(15(16,17)18)13(19-11)21-6-2-3-7-21/h4-5,8H,2-3,6-7H2,1H3,(H,19,20)
InChIKeyXXWVDRADNAJHOM-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.34
Rot. Bonds3

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

3-methyl-1-[[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione (PubChem CID 177168127) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 3-methyl-1-[[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
PubChem CID177168127
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name3-methyl-1-[[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(N3CCCC3)n2)C1=O
InChIInChI=1S/C15H15F3N4O2/c1-9-8-12(23)22(14(9)24)20-11-5-4-10(15(16,17)18)13(19-11)21-6-2-3-7-21/h4-5,8H,2-3,6-7H2,1H3,(H,19,20)
InChIKeyXXWVDRADNAJHOM-UHFFFAOYSA-N
XLogP2.34
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-methyl-1-[[6-pyrrolidin-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

3-methyl-1-[methyl-[6-piperidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
CID 177168201
1-[[4,5-bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177167962
3-methyl-1-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 177168186
1-methyl-1-[6-piperidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 177168012
6-piperidin-1-yl-5-(trifluoromethyl)pyridin-2-amine
CID 177168205
1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione
CID 177168064
N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-pyrrolidin-1-ylpyridine-2-sulfinamide
CID 166716889
3,4-dimethyl-1-[[6-(4-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidine-2,5-dione
CID 67088861
2,6-dimethyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 170172200
2-(azetidin-1-yl)-5-methyl-3-(trifluoromethyl)pyridine
CID 130243856
7-(5-methylpyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
CID 143270366
[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 177168176

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-[[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione (CID 177168127) is 3-methyl-1-[[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-[[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-[[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione is CC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(N3CCCC3)n2)C1=O.
What is the InChIKey of 3-methyl-1-[[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione?
The InChIKey is XXWVDRADNAJHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-9-8-12(23)22(14(9)24)20-11-5-4-10(15(16,17)18)13(19-11)21-6-2-3-7-21/h4-5,8H,2-3,6-7H2,1H3,(H,19,20).
What are the key properties of 3-methyl-1-[[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione?
3-methyl-1-[[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione has a molecular weight of 340.31 g/mol, XLogP of 2.34, 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-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione is sourced from PubChem (CID 177168127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).