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

C13H17F3N2O3 — CID 118544322

IUPACN-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2,2-dimethylpropanamide
SMILESCOc1[nH]c(C(F)(F)F)cc(=O)c1CNC(=O)C(C)(C)C
InChIInChI=1S/C13H17F3N2O3/c1-12(2,3)11(20)17-6-7-8(19)5-9(13(14,15)16)18-10(7)21-4/h5H,6H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyLLWLNTXGIIEQTL-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.06
Rot. Bonds3

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

N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 118544322) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2,2-dimethylpropanamide
PubChem CID118544322
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC NameN-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2,2-dimethylpropanamide
SMILESCOc1[nH]c(C(F)(F)F)cc(=O)c1CNC(=O)C(C)(C)C
InChIInChI=1S/C13H17F3N2O3/c1-12(2,3)11(20)17-6-7-8(19)5-9(13(14,15)16)18-10(7)21-4/h5H,6H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyLLWLNTXGIIEQTL-UHFFFAOYSA-N
XLogP2.06
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
CID 118544263
N-[(6-fluoro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
CID 118544287
N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
CID 118544300
N-[(5-fluoro-2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
CID 118544316
N-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
CID 118544319
2,2-dimethyl-N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]propanamide
CID 118544324
N-[(6-fluoro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 118544380
N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]acetamide
CID 118544409
N-[(5-fluoro-2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 118544414
N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]acetamide
CID 118544464
N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylbutanamide
CID 130207497
N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]carbamoyl iodide
CID 132022178

Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2,2-dimethylpropanamide (CID 118544322) is N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2,2-dimethylpropanamide is COc1[nH]c(C(F)(F)F)cc(=O)c1CNC(=O)C(C)(C)C.
What is the InChIKey of N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is LLWLNTXGIIEQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-12(2,3)11(20)17-6-7-8(19)5-9(13(14,15)16)18-10(7)21-4/h5H,6H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2,2-dimethylpropanamide?
N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 306.28 g/mol, XLogP of 2.06, 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 118544322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).