N-ethyl-2-(3-methoxy-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide

C12H15F3N2O3 — CID 72917130

IUPACN-ethyl-2-(3-methoxy-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)Cn1cccc(OC)c1=O
InChIInChI=1S/C12H15F3N2O3/c1-3-16(8-12(13,14)15)10(18)7-17-6-4-5-9(20-2)11(17)19/h4-6H,3,7-8H2,1-2H3
InChIKeySBNHSMBAUCJMOK-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.27
Rot. Bonds5

About N-ethyl-2-(3-methoxy-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide

N-ethyl-2-(3-methoxy-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 72917130) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxy-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxy-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID72917130
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC NameN-ethyl-2-(3-methoxy-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)Cn1cccc(OC)c1=O
InChIInChI=1S/C12H15F3N2O3/c1-3-16(8-12(13,14)15)10(18)7-17-6-4-5-9(20-2)11(17)19/h4-6H,3,7-8H2,1-2H3
InChIKeySBNHSMBAUCJMOK-UHFFFAOYSA-N
XLogP1.27
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-2-(3-methoxy-2-oxopyridin-1(2H)-yl)-N-methylacetamide
CID 72899522
2-(3-methoxy-2-oxopyridin-1(2H)-yl)-N-(3-methoxypropyl)-N-methylacetamide
CID 72901607
3-methoxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridin-2(1H)-one
CID 72926536
3-(Difluoromethoxy)-1-methylpyridin-2-one
CID 135334628
3-(Difluoromethoxy)-1-propan-2-ylpyridin-2-one
CID 171101017
3-(Difluoromethoxy)-1-ethylpyridin-2-one
CID 171101226
1-Propan-2-yl-3-(trifluoromethoxy)pyridin-2-one
CID 171746145
Ethane;1-methyl-3-(trifluoromethoxy)pyridin-2-one
CID 171801023
2-ethoxy-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetamide
CID 71854783
1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-methoxypyridin-2(1H)-one
CID 72901844
3-Methoxy-1-propylpyridin-2-one
CID 10678659
1-ethyl-3-methoxy-2(1H)-pyridone
CID 10844581

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxy-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-ethyl-2-(3-methoxy-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 72917130) is N-ethyl-2-(3-methoxy-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(3-methoxy-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-ethyl-2-(3-methoxy-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide is CCN(CC(F)(F)F)C(=O)Cn1cccc(OC)c1=O.
What is the InChIKey of N-ethyl-2-(3-methoxy-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is SBNHSMBAUCJMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-3-16(8-12(13,14)15)10(18)7-17-6-4-5-9(20-2)11(17)19/h4-6H,3,7-8H2,1-2H3.
What are the key properties of N-ethyl-2-(3-methoxy-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
N-ethyl-2-(3-methoxy-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 292.26 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxy-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 72917130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).