N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]acetamide

C10H11F3N2O3 — CID 118544409

IUPACN-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]acetamide
SMILESCOc1[nH]c(C(F)(F)F)cc(=O)c1CNC(C)=O
InChIInChI=1S/C10H11F3N2O3/c1-5(16)14-4-6-7(17)3-8(10(11,12)13)15-9(6)18-2/h3H,4H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyAPTONYJJSKMCMD-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.04
Rot. Bonds3

About N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]acetamide

N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]acetamide (PubChem CID 118544409) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]acetamide
PubChem CID118544409
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC NameN-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]acetamide
SMILESCOc1[nH]c(C(F)(F)F)cc(=O)c1CNC(C)=O
InChIInChI=1S/C10H11F3N2O3/c1-5(16)14-4-6-7(17)3-8(10(11,12)13)15-9(6)18-2/h3H,4H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyAPTONYJJSKMCMD-UHFFFAOYSA-N
XLogP1.04
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]acetamide?
The IUPAC name of N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]acetamide (CID 118544409) is N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]acetamide is COc1[nH]c(C(F)(F)F)cc(=O)c1CNC(C)=O.
What is the InChIKey of N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]acetamide?
The InChIKey is APTONYJJSKMCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-5(16)14-4-6-7(17)3-8(10(11,12)13)15-9(6)18-2/h3H,4H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]acetamide?
N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]acetamide has a molecular weight of 264.20 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]acetamide is sourced from PubChem (CID 118544409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).