3-[[3-[3-(trifluoromethyl)phenoxy]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide

C20H17F3N4O4 — CID 143374961

IUPAC3-[[3-[3-(trifluoromethyl)phenoxy]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1oc2ncccc2c1NC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H17F3N4O4/c21-20(22,23)11-3-1-4-12(9-11)30-13-6-8-27(10-13)19(29)26-15-14-5-2-7-25-18(14)31-16(15)17(24)28/h1-5,7,9,13H,6,8,10H2,(H2,24,28)(H,26,29)
InChIKeySMAKDBXGHFRPRK-UHFFFAOYSA-N
MW434.37 g/mol
LogP3.63
Rot. Bonds4

About 3-[[3-[3-(trifluoromethyl)phenoxy]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide

3-[[3-[3-(trifluoromethyl)phenoxy]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide (PubChem CID 143374961) has the molecular formula C20H17F3N4O4 and a molecular weight of 434.37 g/mol. Its IUPAC name is 3-[[3-[3-(trifluoromethyl)phenoxy]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[3-[3-(trifluoromethyl)phenoxy]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
PubChem CID143374961
Molecular FormulaC20H17F3N4O4
Molecular Weight434.37 g/mol
Exact Mass434.12
IUPAC Name3-[[3-[3-(trifluoromethyl)phenoxy]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1oc2ncccc2c1NC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H17F3N4O4/c21-20(22,23)11-3-1-4-12(9-11)30-13-6-8-27(10-13)19(29)26-15-14-5-2-7-25-18(14)31-16(15)17(24)28/h1-5,7,9,13H,6,8,10H2,(H2,24,28)(H,26,29)
InChIKeySMAKDBXGHFRPRK-UHFFFAOYSA-N
XLogP3.63
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[3-[3-(trifluoromethyl)phenoxy]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-[[(3S)-3-piperidin-1-ylpyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
CID 143374828
3-[[(3R)-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
CID 15985087
N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
3-[[(3R)-3-[(3S)-3-methylmorpholin-4-yl]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
CID 143374812
2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591548
2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 70736464
4-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]oxypyridine-2-carboxamide
CID 122257031
2-amino-1-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethanone
CID 67479763
(2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one
CID 70722941
3-pyridazin-3-yloxy-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 90638470
(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 131948055
(3S)-N-pyridin-2-yl-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97084803

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[3-(trifluoromethyl)phenoxy]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[[3-[3-(trifluoromethyl)phenoxy]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide (CID 143374961) is 3-[[3-[3-(trifluoromethyl)phenoxy]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[[3-[3-(trifluoromethyl)phenoxy]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[[3-[3-(trifluoromethyl)phenoxy]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide is NC(=O)c1oc2ncccc2c1NC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-[[3-[3-(trifluoromethyl)phenoxy]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide?
The InChIKey is SMAKDBXGHFRPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O4/c21-20(22,23)11-3-1-4-12(9-11)30-13-6-8-27(10-13)19(29)26-15-14-5-2-7-25-18(14)31-16(15)17(24)28/h1-5,7,9,13H,6,8,10H2,(H2,24,28)(H,26,29).
What are the key properties of 3-[[3-[3-(trifluoromethyl)phenoxy]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide?
3-[[3-[3-(trifluoromethyl)phenoxy]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide has a molecular weight of 434.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[3-(trifluoromethyl)phenoxy]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 143374961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).