N-[1,1,1,3,3,3-hexafluoro-2-(2-oxopyrrolidin-1-yl)propan-2-yl]pyridine-3-carboxamide

C13H11F6N3O2 — CID 2817881

IUPACN-[1,1,1,3,3,3-hexafluoro-2-(2-oxopyrrolidin-1-yl)propan-2-yl]pyridine-3-carboxamide
SMILESO=C(NC(N1CCCC1=O)(C(F)(F)F)C(F)(F)F)c1cccnc1
InChIInChI=1S/C13H11F6N3O2/c14-12(15,16)11(13(17,18)19,22-6-2-4-9(22)23)21-10(24)8-3-1-5-20-7-8/h1,3,5,7H,2,4,6H2,(H,21,24)
InChIKeyONAIXHRKJGBOKX-UHFFFAOYSA-N
MW355.24 g/mol
LogP2.25
Rot. Bonds3

About N-[1,1,1,3,3,3-hexafluoro-2-(2-oxopyrrolidin-1-yl)propan-2-yl]pyridine-3-carboxamide

N-[1,1,1,3,3,3-hexafluoro-2-(2-oxopyrrolidin-1-yl)propan-2-yl]pyridine-3-carboxamide (PubChem CID 2817881) has the molecular formula C13H11F6N3O2 and a molecular weight of 355.24 g/mol. Its IUPAC name is N-[1,1,1,3,3,3-hexafluoro-2-(2-oxopyrrolidin-1-yl)propan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1,1,1,3,3,3-hexafluoro-2-(2-oxopyrrolidin-1-yl)propan-2-yl]pyridine-3-carboxamide
PubChem CID2817881
Molecular FormulaC13H11F6N3O2
Molecular Weight355.24 g/mol
Exact Mass355.08
IUPAC NameN-[1,1,1,3,3,3-hexafluoro-2-(2-oxopyrrolidin-1-yl)propan-2-yl]pyridine-3-carboxamide
SMILESO=C(NC(N1CCCC1=O)(C(F)(F)F)C(F)(F)F)c1cccnc1
InChIInChI=1S/C13H11F6N3O2/c14-12(15,16)11(13(17,18)19,22-6-2-4-9(22)23)21-10(24)8-3-1-5-20-7-8/h1,3,5,7H,2,4,6H2,(H,21,24)
InChIKeyONAIXHRKJGBOKX-UHFFFAOYSA-N
XLogP2.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-(2-oxopyrrolidin-1-yl)propan-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-(2-oxopyrrolidin-1-yl)propan-2-yl]pyridine-3-carboxamide (CID 2817881) is N-[1,1,1,3,3,3-hexafluoro-2-(2-oxopyrrolidin-1-yl)propan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1,1,1,3,3,3-hexafluoro-2-(2-oxopyrrolidin-1-yl)propan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1,1,1,3,3,3-hexafluoro-2-(2-oxopyrrolidin-1-yl)propan-2-yl]pyridine-3-carboxamide is O=C(NC(N1CCCC1=O)(C(F)(F)F)C(F)(F)F)c1cccnc1.
What is the InChIKey of N-[1,1,1,3,3,3-hexafluoro-2-(2-oxopyrrolidin-1-yl)propan-2-yl]pyridine-3-carboxamide?
The InChIKey is ONAIXHRKJGBOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F6N3O2/c14-12(15,16)11(13(17,18)19,22-6-2-4-9(22)23)21-10(24)8-3-1-5-20-7-8/h1,3,5,7H,2,4,6H2,(H,21,24).
What are the key properties of N-[1,1,1,3,3,3-hexafluoro-2-(2-oxopyrrolidin-1-yl)propan-2-yl]pyridine-3-carboxamide?
N-[1,1,1,3,3,3-hexafluoro-2-(2-oxopyrrolidin-1-yl)propan-2-yl]pyridine-3-carboxamide has a molecular weight of 355.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,1,3,3,3-hexafluoro-2-(2-oxopyrrolidin-1-yl)propan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 2817881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).