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

C19H18F3N3O2 — CID 134412449

IUPAC(3R,4R)-1-methyl-N-(2-methyl-4-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2C(=O)N(C)C[C@H]2c2ccc(C(F)(F)F)cc2)ccn1
InChIInChI=1S/C19H18F3N3O2/c1-11-9-14(7-8-23-11)24-17(26)16-15(10-25(2)18(16)27)12-3-5-13(6-4-12)19(20,21)22/h3-9,15-16H,10H2,1-2H3,(H,23,24,26)/t15-,16+/m0/s1
InChIKeyGPFFCXGDFDHEQZ-JKSUJKDBSA-N
MW377.37 g/mol
LogP3.22
Rot. Bonds3

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

(3R,4R)-1-methyl-N-(2-methyl-4-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 134412449) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is (3R,4R)-1-methyl-N-(2-methyl-4-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-1-methyl-N-(2-methyl-4-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID134412449
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name(3R,4R)-1-methyl-N-(2-methyl-4-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2C(=O)N(C)C[C@H]2c2ccc(C(F)(F)F)cc2)ccn1
InChIInChI=1S/C19H18F3N3O2/c1-11-9-14(7-8-23-11)24-17(26)16-15(10-25(2)18(16)27)12-3-5-13(6-4-12)19(20,21)22/h3-9,15-16H,10H2,1-2H3,(H,23,24,26)/t15-,16+/m0/s1
InChIKeyGPFFCXGDFDHEQZ-JKSUJKDBSA-N
XLogP3.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-methyl-N-(2-methyl-4-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-1-methyl-N-(2-methyl-4-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 134412449) is (3R,4R)-1-methyl-N-(2-methyl-4-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-1-methyl-N-(2-methyl-4-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-1-methyl-N-(2-methyl-4-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is Cc1cc(NC(=O)[C@@H]2C(=O)N(C)C[C@H]2c2ccc(C(F)(F)F)cc2)ccn1.
What is the InChIKey of (3R,4R)-1-methyl-N-(2-methyl-4-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is GPFFCXGDFDHEQZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-11-9-14(7-8-23-11)24-17(26)16-15(10-25(2)18(16)27)12-3-5-13(6-4-12)19(20,21)22/h3-9,15-16H,10H2,1-2H3,(H,23,24,26)/t15-,16+/m0/s1.
What are the key properties of (3R,4R)-1-methyl-N-(2-methyl-4-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
(3R,4R)-1-methyl-N-(2-methyl-4-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 377.37 g/mol, XLogP of 3.22, 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-N-(2-methyl-4-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 134412449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).