5-oxo-N-(2-pyridin-2-ylethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C14H16F3N3O2 — CID 51078018

IUPAC5-oxo-N-(2-pyridin-2-ylethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccccn1)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)9-20-8-10(7-12(20)21)13(22)19-6-4-11-3-1-2-5-18-11/h1-3,5,10H,4,6-9H2,(H,19,22)
InChIKeyYOOIGXMEUAKNJD-UHFFFAOYSA-N
MW315.29 g/mol
LogP1.15
Rot. Bonds5

About 5-oxo-N-(2-pyridin-2-ylethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

5-oxo-N-(2-pyridin-2-ylethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 51078018) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 5-oxo-N-(2-pyridin-2-ylethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(2-pyridin-2-ylethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID51078018
Molecular FormulaC14H16F3N3O2
Molecular Weight315.29 g/mol
Exact Mass315.12
IUPAC Name5-oxo-N-(2-pyridin-2-ylethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccccn1)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)9-20-8-10(7-12(20)21)13(22)19-6-4-11-3-1-2-5-18-11/h1-3,5,10H,4,6-9H2,(H,19,22)
InChIKeyYOOIGXMEUAKNJD-UHFFFAOYSA-N
XLogP1.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(2-pyridin-2-ylethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(2-pyridin-2-ylethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 51078018) is 5-oxo-N-(2-pyridin-2-ylethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(2-pyridin-2-ylethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(2-pyridin-2-ylethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is O=C(NCCc1ccccn1)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of 5-oxo-N-(2-pyridin-2-ylethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is YOOIGXMEUAKNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c15-14(16,17)9-20-8-10(7-12(20)21)13(22)19-6-4-11-3-1-2-5-18-11/h1-3,5,10H,4,6-9H2,(H,19,22).
What are the key properties of 5-oxo-N-(2-pyridin-2-ylethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
5-oxo-N-(2-pyridin-2-ylethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 315.29 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(2-pyridin-2-ylethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 51078018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).