5-[6-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-3-pyridinyl]pyrrolidine-2-carboxamide

C18H17F4N3O2 — CID 122578511

IUPAC5-[6-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-3-pyridinyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCC(c2ccc(OC(c3ccccc3F)C(F)(F)F)nc2)N1
InChIInChI=1S/C18H17F4N3O2/c19-12-4-2-1-3-11(12)16(18(20,21)22)27-15-8-5-10(9-24-15)13-6-7-14(25-13)17(23)26/h1-5,8-9,13-14,16,25H,6-7H2,(H2,23,26)
InChIKeyFPBAUIPWZLVRJB-UHFFFAOYSA-N
MW383.35 g/mol
LogP3.18
Rot. Bonds5

About 5-[6-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-3-pyridinyl]pyrrolidine-2-carboxamide

5-[6-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-3-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 122578511) has the molecular formula C18H17F4N3O2 and a molecular weight of 383.35 g/mol. Its IUPAC name is 5-[6-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-3-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-[6-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-3-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID122578511
Molecular FormulaC18H17F4N3O2
Molecular Weight383.35 g/mol
Exact Mass383.13
IUPAC Name5-[6-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-3-pyridinyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCC(c2ccc(OC(c3ccccc3F)C(F)(F)F)nc2)N1
InChIInChI=1S/C18H17F4N3O2/c19-12-4-2-1-3-11(12)16(18(20,21)22)27-15-8-5-10(9-24-15)13-6-7-14(25-13)17(23)26/h1-5,8-9,13-14,16,25H,6-7H2,(H2,23,26)
InChIKeyFPBAUIPWZLVRJB-UHFFFAOYSA-N
XLogP3.18
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-3-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-[6-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-3-pyridinyl]pyrrolidine-2-carboxamide (CID 122578511) is 5-[6-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-3-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-[6-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-3-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-[6-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-3-pyridinyl]pyrrolidine-2-carboxamide is NC(=O)C1CCC(c2ccc(OC(c3ccccc3F)C(F)(F)F)nc2)N1.
What is the InChIKey of 5-[6-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-3-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is FPBAUIPWZLVRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N3O2/c19-12-4-2-1-3-11(12)16(18(20,21)22)27-15-8-5-10(9-24-15)13-6-7-14(25-13)17(23)26/h1-5,8-9,13-14,16,25H,6-7H2,(H2,23,26).
What are the key properties of 5-[6-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-3-pyridinyl]pyrrolidine-2-carboxamide?
5-[6-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-3-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 383.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-3-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 122578511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).