N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]pyrrolidine-1-carboxamide

C12H15F2N3O2 — CID 146323238

IUPACN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CCF)c1)N1CCCC1
InChIInChI=1S/C12H15F2N3O2/c13-3-6-17-8-9(7-10(14)11(17)18)15-12(19)16-4-1-2-5-16/h7-8H,1-6H2,(H,15,19)
InChIKeyKGTKLGJSEPQJLA-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.58
Rot. Bonds3

About N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]pyrrolidine-1-carboxamide

N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]pyrrolidine-1-carboxamide (PubChem CID 146323238) has the molecular formula C12H15F2N3O2 and a molecular weight of 271.27 g/mol. Its IUPAC name is N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]pyrrolidine-1-carboxamide
PubChem CID146323238
Molecular FormulaC12H15F2N3O2
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC NameN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CCF)c1)N1CCCC1
InChIInChI=1S/C12H15F2N3O2/c13-3-6-17-8-9(7-10(14)11(17)18)15-12(19)16-4-1-2-5-16/h7-8H,1-6H2,(H,15,19)
InChIKeyKGTKLGJSEPQJLA-UHFFFAOYSA-N
XLogP1.58
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]pyrrolidine-1-carboxamide (CID 146323238) is N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]pyrrolidine-1-carboxamide is O=C(Nc1cc(F)c(=O)n(CCF)c1)N1CCCC1.
What is the InChIKey of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]pyrrolidine-1-carboxamide?
The InChIKey is KGTKLGJSEPQJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O2/c13-3-6-17-8-9(7-10(14)11(17)18)15-12(19)16-4-1-2-5-16/h7-8H,1-6H2,(H,15,19).
What are the key properties of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]pyrrolidine-1-carboxamide?
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]pyrrolidine-1-carboxamide has a molecular weight of 271.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 146323238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).