ethane;N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]acetamide

C12H17F3N2O3 — CID 144654858

IUPACethane;N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]acetamide
SMILESCC.CC(=O)NCc1c(OC(F)(F)F)[nH]c(C)cc1=O
InChIInChI=1S/C10H11F3N2O3.C2H6/c1-5-3-8(17)7(4-14-6(2)16)9(15-5)18-10(11,12)13;1-2/h3H,4H2,1-2H3,(H,14,16)(H,15,17);1-2H3
InChIKeyQVLNSANRZVHGRS-UHFFFAOYSA-N
MW294.27 g/mol
LogP2.24
Rot. Bonds3

About ethane;N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]acetamide

ethane;N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]acetamide (PubChem CID 144654858) has the molecular formula C12H17F3N2O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is ethane;N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]acetamide.

Molecular Properties

Compound Nameethane;N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]acetamide
PubChem CID144654858
Molecular FormulaC12H17F3N2O3
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Nameethane;N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]acetamide
SMILESCC.CC(=O)NCc1c(OC(F)(F)F)[nH]c(C)cc1=O
InChIInChI=1S/C10H11F3N2O3.C2H6/c1-5-3-8(17)7(4-14-6(2)16)9(15-5)18-10(11,12)13;1-2/h3H,4H2,1-2H3,(H,14,16)(H,15,17);1-2H3
InChIKeyQVLNSANRZVHGRS-UHFFFAOYSA-N
XLogP2.24
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]acetamide?
The IUPAC name of ethane;N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]acetamide (CID 144654858) is ethane;N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]acetamide.
What is the SMILES notation for ethane;N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]acetamide?
The canonical SMILES for ethane;N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]acetamide is CC.CC(=O)NCc1c(OC(F)(F)F)[nH]c(C)cc1=O.
What is the InChIKey of ethane;N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]acetamide?
The InChIKey is QVLNSANRZVHGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3.C2H6/c1-5-3-8(17)7(4-14-6(2)16)9(15-5)18-10(11,12)13;1-2/h3H,4H2,1-2H3,(H,14,16)(H,15,17);1-2H3.
What are the key properties of ethane;N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]acetamide?
ethane;N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]acetamide has a molecular weight of 294.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]acetamide is sourced from PubChem (CID 144654858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).