2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide

C13H17F3N2O2 — CID 47020753

IUPAC2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C13H17F3N2O2/c1-3-5-9(2)17-11(19)8-18-7-4-6-10(12(18)20)13(14,15)16/h4,6-7,9H,3,5,8H2,1-2H3,(H,17,19)
InChIKeyJXLKGBIKPZHDIZ-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.17
Rot. Bonds5

About 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide

2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide (PubChem CID 47020753) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide
PubChem CID47020753
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C13H17F3N2O2/c1-3-5-9(2)17-11(19)8-18-7-4-6-10(12(18)20)13(14,15)16/h4,6-7,9H,3,5,8H2,1-2H3,(H,17,19)
InChIKeyJXLKGBIKPZHDIZ-UHFFFAOYSA-N
XLogP2.17
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxybutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111429139
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55543815
N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 86877255
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide
CID 94177642
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-2-phenylbutyl]acetamide
CID 30749964
methyl 3-(4-fluorophenyl)-3-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoate
CID 55995564
N-[(2S)-pentan-2-yl]-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 8749052
2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 79102365
N-[3-[1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]phenyl]benzamide
CID 55693879
N-[(1S)-1-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]ethyl]acetamide
CID 39041536
N-pentan-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66401184
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55588553

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide (CID 47020753) is 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide?
The InChIKey is JXLKGBIKPZHDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-3-5-9(2)17-11(19)8-18-7-4-6-10(12(18)20)13(14,15)16/h4,6-7,9H,3,5,8H2,1-2H3,(H,17,19).
What are the key properties of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide?
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide has a molecular weight of 290.28 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide is sourced from PubChem (CID 47020753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).