4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine-2-carboxamide

C22H18F4N4O2 — CID 122539738

IUPAC4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(OC2CCN(c3ccnc(C(F)(F)F)c3)C2)cn1
InChIInChI=1S/C22H18F4N4O2/c23-14-3-1-13(2-4-14)17-10-18(21(27)31)29-11-19(17)32-16-6-8-30(12-16)15-5-7-28-20(9-15)22(24,25)26/h1-5,7,9-11,16H,6,8,12H2,(H2,27,31)
InChIKeyXVACUGARDJMCIJ-UHFFFAOYSA-N
MW446.40 g/mol
LogP4.06
Rot. Bonds5

About 4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine-2-carboxamide

4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine-2-carboxamide (PubChem CID 122539738) has the molecular formula C22H18F4N4O2 and a molecular weight of 446.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine-2-carboxamide
PubChem CID122539738
Molecular FormulaC22H18F4N4O2
Molecular Weight446.40 g/mol
Exact Mass446.14
IUPAC Name4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(OC2CCN(c3ccnc(C(F)(F)F)c3)C2)cn1
InChIInChI=1S/C22H18F4N4O2/c23-14-3-1-13(2-4-14)17-10-18(21(27)31)29-11-19(17)32-16-6-8-30(12-16)15-5-7-28-20(9-15)22(24,25)26/h1-5,7,9-11,16H,6,8,12H2,(H2,27,31)
InChIKeyXVACUGARDJMCIJ-UHFFFAOYSA-N
XLogP4.06
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine
CID 166605932
[1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyrrolidin-3-yl] carbamate
CID 175147723
morpholin-4-yl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methanone
CID 165434721
tert-butyl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 155168237
piperidin-1-yl-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methanone
CID 166602700
4-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444137
[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid
CID 67341843
4-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-2-carboxamide
CID 82691291
4-(4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)pyridine-2-carboxamide
CID 134327152
6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide
CID 133345869
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]ethanone
CID 172891519
[1-(2-amino-4-pyridinyl)piperidin-4-yl] carbamate
CID 175111537

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine-2-carboxamide (CID 122539738) is 4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c(OC2CCN(c3ccnc(C(F)(F)F)c3)C2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine-2-carboxamide?
The InChIKey is XVACUGARDJMCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N4O2/c23-14-3-1-13(2-4-14)17-10-18(21(27)31)29-11-19(17)32-16-6-8-30(12-16)15-5-7-28-20(9-15)22(24,25)26/h1-5,7,9-11,16H,6,8,12H2,(H2,27,31).
What are the key properties of 4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine-2-carboxamide?
4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine-2-carboxamide has a molecular weight of 446.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 122539738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).