2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide

C13H16F3N3O — CID 72873377

IUPAC2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(NCC(F)(F)F)C(c1cccnc1)N1CCCC1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)9-18-12(20)11(19-6-1-2-7-19)10-4-3-5-17-8-10/h3-5,8,11H,1-2,6-7,9H2,(H,18,20)
InChIKeyYAUPSSPQWHMFND-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.90
Rot. Bonds4

About 2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide

2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 72873377) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID72873377
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC Name2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(NCC(F)(F)F)C(c1cccnc1)N1CCCC1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)9-18-12(20)11(19-6-1-2-7-19)10-4-3-5-17-8-10/h3-5,8,11H,1-2,6-7,9H2,(H,18,20)
InChIKeyYAUPSSPQWHMFND-UHFFFAOYSA-N
XLogP1.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cotinine
CID 854019
(+-)-Cotinine
CID 408
Norcotinine
CID 413
Demethylcotinine
CID 92223
R-(+)-Cotinine
CID 21907
(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
CID 23646451
(3R,7R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7-methyl-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
CID 23647130
Ari-3099
CID 71655266
(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one
CID 11346439
3-Pyridineacetamide
CID 564767
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxo-1-[4-(pyridin-3-yl)phenyl]propan-2-aminium; 2,2,2-trifluoroacetate
CID 91895787
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxo-1-[4-(pyridin-4-yl)phenyl]propan-2-aminium; 2,2,2-trifluoroacetate
CID 91895788

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 72873377) is 2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide is O=C(NCC(F)(F)F)C(c1cccnc1)N1CCCC1.
What is the InChIKey of 2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YAUPSSPQWHMFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)9-18-12(20)11(19-6-1-2-7-19)10-4-3-5-17-8-10/h3-5,8,11H,1-2,6-7,9H2,(H,18,20).
What are the key properties of 2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 287.28 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 72873377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).