N,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide

C19H20F3N3O4S — CID 91904289

IUPACN,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1OC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H20F3N3O4S/c1-24(2)18(26)16-7-4-9-23-17(16)29-14-8-10-25(12-14)30(27,28)15-6-3-5-13(11-15)19(20,21)22/h3-7,9,11,14H,8,10,12H2,1-2H3
InChIKeyVZFDTARNSBHOOY-UHFFFAOYSA-N
MW443.45 g/mol
LogP2.64
Rot. Bonds5

About N,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide

N,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide (PubChem CID 91904289) has the molecular formula C19H20F3N3O4S and a molecular weight of 443.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide
PubChem CID91904289
Molecular FormulaC19H20F3N3O4S
Molecular Weight443.45 g/mol
Exact Mass443.11
IUPAC NameN,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1OC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H20F3N3O4S/c1-24(2)18(26)16-7-4-9-23-17(16)29-14-8-10-25(12-14)30(27,28)15-6-3-5-13(11-15)19(20,21)22/h3-7,9,11,14H,8,10,12H2,1-2H3
InChIKeyVZFDTARNSBHOOY-UHFFFAOYSA-N
XLogP2.64
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide (CID 91904289) is N,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide is CN(C)C(=O)c1cccnc1OC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide?
The InChIKey is VZFDTARNSBHOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O4S/c1-24(2)18(26)16-7-4-9-23-17(16)29-14-8-10-25(12-14)30(27,28)15-6-3-5-13(11-15)19(20,21)22/h3-7,9,11,14H,8,10,12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide?
N,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide has a molecular weight of 443.45 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 91904289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).