N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-1-carboxamide

C12H14F3N3O2 — CID 71854665

IUPACN-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccn(CC(F)(F)F)c1=O)N1CCCC1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)8-18-7-3-4-9(10(18)19)16-11(20)17-5-1-2-6-17/h3-4,7H,1-2,5-6,8H2,(H,16,20)
InChIKeyATUBJWSEMOUZTE-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.04
Rot. Bonds2

About N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-1-carboxamide

N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-1-carboxamide (PubChem CID 71854665) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-1-carboxamide
PubChem CID71854665
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC NameN-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccn(CC(F)(F)F)c1=O)N1CCCC1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)8-18-7-3-4-9(10(18)19)16-11(20)17-5-1-2-6-17/h3-4,7H,1-2,5-6,8H2,(H,16,20)
InChIKeyATUBJWSEMOUZTE-UHFFFAOYSA-N
XLogP2.04
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-1-carboxamide (CID 71854665) is N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-1-carboxamide is O=C(Nc1cccn(CC(F)(F)F)c1=O)N1CCCC1.
What is the InChIKey of N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-1-carboxamide?
The InChIKey is ATUBJWSEMOUZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)8-18-7-3-4-9(10(18)19)16-11(20)17-5-1-2-6-17/h3-4,7H,1-2,5-6,8H2,(H,16,20).
What are the key properties of N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-1-carboxamide?
N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-1-carboxamide has a molecular weight of 289.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71854665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).