2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]propanamide

C11H13F3N2O — CID 123230614

IUPAC2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]propanamide
SMILESCC(C)C(=O)NCc1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N2O/c1-7(2)10(17)15-6-8-4-3-5-9(16-8)11(12,13)14/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyIDJBUJJKWUBLNO-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.37
Rot. Bonds3

About 2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]propanamide

2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]propanamide (PubChem CID 123230614) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]propanamide
PubChem CID123230614
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]propanamide
SMILESCC(C)C(=O)NCc1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N2O/c1-7(2)10(17)15-6-8-4-3-5-9(16-8)11(12,13)14/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyIDJBUJJKWUBLNO-UHFFFAOYSA-N
XLogP2.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methyl-2-oxobutyl)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 160568644
1-[2-[2-(trifluoromethyl)phenyl]ethyl]-3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]urea
CID 166236084
2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 53401513
N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]formamide
CID 144611139
N-[(4-tert-butylphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 68701165
N-[1-(1-hydroxyethyl)cyclopropyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 138024052
N-[(6-cyclohexyl-2-pyridinyl)methyl]-2-methylpropanamide
CID 171593679
N,N-dimethyl-3-phenyl-3-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoylamino]propanamide
CID 154794465
2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 67968360
2,2-dimethyl-3-[6-(trifluoromethyl)-2-pyridinyl]propanoic acid
CID 171538306
(3S,5S)-5-methyl-1-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 129470071
2-amino-8-methoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
CID 122485352

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]propanamide (CID 123230614) is 2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]propanamide is CC(C)C(=O)NCc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]propanamide?
The InChIKey is IDJBUJJKWUBLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-7(2)10(17)15-6-8-4-3-5-9(16-8)11(12,13)14/h3-5,7H,6H2,1-2H3,(H,15,17).
What are the key properties of 2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]propanamide?
2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]propanamide has a molecular weight of 246.23 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]propanamide is sourced from PubChem (CID 123230614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).