3,4-dimethyl-1-[[6-(4-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidine-2,5-dione

C19H18F3N3O2 — CID 67088861

IUPAC3,4-dimethyl-1-[[6-(4-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidine-2,5-dione
SMILESCc1ccc(-c2nc(NN3C(=O)C(C)C(C)C3=O)ccc2C(F)(F)F)cc1
InChIInChI=1S/C19H18F3N3O2/c1-10-4-6-13(7-5-10)16-14(19(20,21)22)8-9-15(23-16)24-25-17(26)11(2)12(3)18(25)27/h4-9,11-12H,1-3H3,(H,23,24)
InChIKeyMBZGSPGWLPJPHY-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.04
Rot. Bonds3

About 3,4-dimethyl-1-[[6-(4-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidine-2,5-dione

3,4-dimethyl-1-[[6-(4-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidine-2,5-dione (PubChem CID 67088861) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 3,4-dimethyl-1-[[6-(4-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-[[6-(4-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidine-2,5-dione
PubChem CID67088861
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name3,4-dimethyl-1-[[6-(4-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidine-2,5-dione
SMILESCc1ccc(-c2nc(NN3C(=O)C(C)C(C)C3=O)ccc2C(F)(F)F)cc1
InChIInChI=1S/C19H18F3N3O2/c1-10-4-6-13(7-5-10)16-14(19(20,21)22)8-9-15(23-16)24-25-17(26)11(2)12(3)18(25)27/h4-9,11-12H,1-3H3,(H,23,24)
InChIKeyMBZGSPGWLPJPHY-UHFFFAOYSA-N
XLogP4.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.04
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 3,4-dimethyl-1-[[6-(4-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidine-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-[[6-(4-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidine-2,5-dione (CID 67088861) is 3,4-dimethyl-1-[[6-(4-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-[[6-(4-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidine-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-[[6-(4-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidine-2,5-dione is Cc1ccc(-c2nc(NN3C(=O)C(C)C(C)C3=O)ccc2C(F)(F)F)cc1.
What is the InChIKey of 3,4-dimethyl-1-[[6-(4-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidine-2,5-dione?
The InChIKey is MBZGSPGWLPJPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-10-4-6-13(7-5-10)16-14(19(20,21)22)8-9-15(23-16)24-25-17(26)11(2)12(3)18(25)27/h4-9,11-12H,1-3H3,(H,23,24).
What are the key properties of 3,4-dimethyl-1-[[6-(4-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidine-2,5-dione?
3,4-dimethyl-1-[[6-(4-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidine-2,5-dione has a molecular weight of 377.37 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-[[6-(4-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 67088861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).