3-[[1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide

C19H18F3N3O4 — CID 66961825

IUPAC3-[[1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1OCC1CCCN1C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H18F3N3O4/c20-19(21,22)29-14-7-5-12(6-8-14)18(27)25-10-2-3-13(25)11-28-15-4-1-9-24-16(15)17(23)26/h1,4-9,13H,2-3,10-11H2,(H2,23,26)
InChIKeyCBFBOQZLDHAWJL-UHFFFAOYSA-N
MW409.36 g/mol
LogP2.76
Rot. Bonds6

About 3-[[1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide

3-[[1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide (PubChem CID 66961825) has the molecular formula C19H18F3N3O4 and a molecular weight of 409.36 g/mol. Its IUPAC name is 3-[[1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
PubChem CID66961825
Molecular FormulaC19H18F3N3O4
Molecular Weight409.36 g/mol
Exact Mass409.12
IUPAC Name3-[[1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1OCC1CCCN1C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H18F3N3O4/c20-19(21,22)29-14-7-5-12(6-8-14)18(27)25-10-2-3-13(25)11-28-15-4-1-9-24-16(15)17(23)26/h1,4-9,13H,2-3,10-11H2,(H2,23,26)
InChIKeyCBFBOQZLDHAWJL-UHFFFAOYSA-N
XLogP2.76
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
CID 67773318
tert-butyl (2R)-2-[(2-carbamoyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 66961823
3-[[1-(4,4-difluorocyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
CID 67774418
N-(2-hydroxyethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
CID 67773123
N-cyclopropyl-4-[[1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]benzamide
CID 163339566
N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
CID 66962144
[4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50846223
tert-butyl 2-[[4-(trifluoromethoxy)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 23081208
[3-amino-4-(trifluoromethoxy)phenyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107209973
[2-(aminomethyl)-3-methylpiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119597224
(2-fluoro-3-pyridinyl) (2S)-2-[(2-fluoro-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 174187814
ethyl 5-[1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]-2H-triazole-4-carboxylate
CID 166269521

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
The IUPAC name of 3-[[1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide (CID 66961825) is 3-[[1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide.
What is the SMILES notation for 3-[[1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
The canonical SMILES for 3-[[1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide is NC(=O)c1ncccc1OCC1CCCN1C(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-[[1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
The InChIKey is CBFBOQZLDHAWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O4/c20-19(21,22)29-14-7-5-12(6-8-14)18(27)25-10-2-3-13(25)11-28-15-4-1-9-24-16(15)17(23)26/h1,4-9,13H,2-3,10-11H2,(H2,23,26).
What are the key properties of 3-[[1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
3-[[1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide has a molecular weight of 409.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide is sourced from PubChem (CID 66961825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).