2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

C17H16F3N3O — CID 2738281

IUPAC2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCCC1c1cccnc1
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)13-6-1-2-7-14(13)22-16(24)23-10-4-8-15(23)12-5-3-9-21-11-12/h1-3,5-7,9,11,15H,4,8,10H2,(H,22,24)
InChIKeyIUHPNQXHCCSXCE-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.47
Rot. Bonds2

About 2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 2738281) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID2738281
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCCC1c1cccnc1
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)13-6-1-2-7-14(13)22-16(24)23-10-4-8-15(23)12-5-3-9-21-11-12/h1-3,5-7,9,11,15H,4,8,10H2,(H,22,24)
InChIKeyIUHPNQXHCCSXCE-UHFFFAOYSA-N
XLogP4.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 2738281) is 2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccccc1C(F)(F)F)N1CCCC1c1cccnc1.
What is the InChIKey of 2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is IUHPNQXHCCSXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c18-17(19,20)13-6-1-2-7-14(13)22-16(24)23-10-4-8-15(23)12-5-3-9-21-11-12/h1-3,5-7,9,11,15H,4,8,10H2,(H,22,24).
What are the key properties of 2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 335.33 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 2738281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).