2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-propylacetamide

C13H16F3N3O3 — CID 32771447

IUPAC2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C13H16F3N3O3/c1-2-5-17-10(20)7-18-11(21)8-19-6-3-4-9(12(19)22)13(14,15)16/h3-4,6H,2,5,7-8H2,1H3,(H,17,20)(H,18,21)
InChIKeyLEKYLTBGMWCONE-UHFFFAOYSA-N
MW319.28 g/mol
LogP0.51
Rot. Bonds6

About 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-propylacetamide

2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-propylacetamide (PubChem CID 32771447) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-propylacetamide
PubChem CID32771447
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC Name2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C13H16F3N3O3/c1-2-5-17-10(20)7-18-11(21)8-19-6-3-4-9(12(19)22)13(14,15)16/h3-4,6H,2,5,7-8H2,1H3,(H,17,20)(H,18,21)
InChIKeyLEKYLTBGMWCONE-UHFFFAOYSA-N
XLogP0.51
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-propylacetamide (CID 32771447) is 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-propylacetamide is CCCNC(=O)CNC(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-propylacetamide?
The InChIKey is LEKYLTBGMWCONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c1-2-5-17-10(20)7-18-11(21)8-19-6-3-4-9(12(19)22)13(14,15)16/h3-4,6H,2,5,7-8H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-propylacetamide?
2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-propylacetamide has a molecular weight of 319.28 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-propylacetamide is sourced from PubChem (CID 32771447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).