2,2-dimethyl-N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]propanamide

C13H17F3N2O3 — CID 118544324

IUPAC2,2-dimethyl-N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]propanamide
SMILESCc1cc(=O)c(CNC(=O)C(C)(C)C)c(OC(F)(F)F)[nH]1
InChIInChI=1S/C13H17F3N2O3/c1-7-5-9(19)8(6-17-11(20)12(2,3)4)10(18-7)21-13(14,15)16/h5H,6H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyLOIUXBOWJPWUGK-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.24
Rot. Bonds3

About 2,2-dimethyl-N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]propanamide

2,2-dimethyl-N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]propanamide (PubChem CID 118544324) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]propanamide
PubChem CID118544324
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name2,2-dimethyl-N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]propanamide
SMILESCc1cc(=O)c(CNC(=O)C(C)(C)C)c(OC(F)(F)F)[nH]1
InChIInChI=1S/C13H17F3N2O3/c1-7-5-9(19)8(6-17-11(20)12(2,3)4)10(18-7)21-13(14,15)16/h5H,6H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyLOIUXBOWJPWUGK-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-5,6,7,8-tetrahydro-6-trifluoroacetyl-1,6-naphthyridin-4(1H)-one
CID 19771695
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-[(5-fluoro-2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
CID 118544316
N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2,2-dimethylpropanamide
CID 118544322
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-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 118544438
N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]acetamide
CID 118544464
N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]carbamoyl iodide
CID 132022178
N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]carbamoyl iodide
CID 132022226

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]propanamide (CID 118544324) is 2,2-dimethyl-N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]propanamide is Cc1cc(=O)c(CNC(=O)C(C)(C)C)c(OC(F)(F)F)[nH]1.
What is the InChIKey of 2,2-dimethyl-N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]propanamide?
The InChIKey is LOIUXBOWJPWUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-7-5-9(19)8(6-17-11(20)12(2,3)4)10(18-7)21-13(14,15)16/h5H,6H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 2,2-dimethyl-N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]propanamide?
2,2-dimethyl-N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]propanamide has a molecular weight of 306.28 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 2,2-dimethyl-N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]propanamide is sourced from PubChem (CID 118544324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).