(3R,4R)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3-carboxamide

C19H15F6N3O2 — CID 134412480

IUPAC(3R,4R)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3-carboxamide
SMILESCN1C[C@@H](c2ccc(C(F)(F)F)cc2)[C@H](C(=O)Nc2ccnc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C19H15F6N3O2/c1-28-9-13(10-2-4-11(5-3-10)18(20,21)22)15(17(28)30)16(29)27-12-6-7-26-14(8-12)19(23,24)25/h2-8,13,15H,9H2,1H3,(H,26,27,29)/t13-,15+/m0/s1
InChIKeyQVAQDCALZOZXKJ-DZGCQCFKSA-N
MW431.34 g/mol
LogP3.93
Rot. Bonds3

About (3R,4R)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3-carboxamide

(3R,4R)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3-carboxamide (PubChem CID 134412480) has the molecular formula C19H15F6N3O2 and a molecular weight of 431.34 g/mol. Its IUPAC name is (3R,4R)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3-carboxamide
PubChem CID134412480
Molecular FormulaC19H15F6N3O2
Molecular Weight431.34 g/mol
Exact Mass431.11
IUPAC Name(3R,4R)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3-carboxamide
SMILESCN1C[C@@H](c2ccc(C(F)(F)F)cc2)[C@H](C(=O)Nc2ccnc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C19H15F6N3O2/c1-28-9-13(10-2-4-11(5-3-10)18(20,21)22)15(17(28)30)16(29)27-12-6-7-26-14(8-12)19(23,24)25/h2-8,13,15H,9H2,1H3,(H,26,27,29)/t13-,15+/m0/s1
InChIKeyQVAQDCALZOZXKJ-DZGCQCFKSA-N
XLogP3.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3R,4R)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3-carboxamide 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

(3R,4R)-1-methyl-N-(2-methyl-4-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412449
(3S,4S)-N-(3,4-difluorophenyl)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412268
(3R,4R)-N-(5,6-dichloro-3-pyridinyl)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412377
(3R,4R)-1-methyl-2-oxo-N-(6-oxo-1H-pyrimidin-2-yl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412469
(3S,4S)-N-(3-chloro-4-fluorophenyl)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412284
(3R,4R)-N-(2,3-dichloro-4-pyridinyl)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412359
(3S,4S)-4-(3,5-difluorophenyl)-1-methyl-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134411892
(3R,4R)-1-methyl-2-oxo-N-(2,3,5,6-tetrafluoro-4-pyridinyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412376
(3R,4R)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 134412390
(3R,4R)-N-(3-bromo-2-methylphenyl)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412466
(3S,4S)-1-methyl-N-(4-methylsulfanyl-3-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412587
(3R,4R)-N-(2-fluoro-4-methylphenyl)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412441

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3-carboxamide (CID 134412480) is (3R,4R)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3-carboxamide is CN1C[C@@H](c2ccc(C(F)(F)F)cc2)[C@H](C(=O)Nc2ccnc(C(F)(F)F)c2)C1=O.
What is the InChIKey of (3R,4R)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3-carboxamide?
The InChIKey is QVAQDCALZOZXKJ-DZGCQCFKSA-N. The full InChI is InChI=1S/C19H15F6N3O2/c1-28-9-13(10-2-4-11(5-3-10)18(20,21)22)15(17(28)30)16(29)27-12-6-7-26-14(8-12)19(23,24)25/h2-8,13,15H,9H2,1H3,(H,26,27,29)/t13-,15+/m0/s1.
What are the key properties of (3R,4R)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3-carboxamide?
(3R,4R)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3-carboxamide has a molecular weight of 431.34 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 134412480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).