3-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]butanamide

C12H15F3N2O2 — CID 170583199

IUPAC3-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C12H15F3N2O2/c1-7(2)6-10(18)16-8-4-5-9(12(13,14)15)17(3)11(8)19/h4-5,7H,6H2,1-3H3,(H,16,18)
InChIKeyYWJWDOUOOOUXFE-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.39
Rot. Bonds3

About 3-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]butanamide

3-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]butanamide (PubChem CID 170583199) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]butanamide
PubChem CID170583199
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name3-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C12H15F3N2O2/c1-7(2)6-10(18)16-8-4-5-9(12(13,14)15)17(3)11(8)19/h4-5,7H,6H2,1-3H3,(H,16,18)
InChIKeyYWJWDOUOOOUXFE-UHFFFAOYSA-N
XLogP2.39
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]butanamide?
The IUPAC name of 3-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]butanamide (CID 170583199) is 3-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]butanamide.
What is the SMILES notation for 3-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]butanamide?
The canonical SMILES for 3-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]butanamide is CC(C)CC(=O)Nc1ccc(C(F)(F)F)n(C)c1=O.
What is the InChIKey of 3-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]butanamide?
The InChIKey is YWJWDOUOOOUXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-7(2)6-10(18)16-8-4-5-9(12(13,14)15)17(3)11(8)19/h4-5,7H,6H2,1-3H3,(H,16,18).
What are the key properties of 3-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]butanamide?
3-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]butanamide has a molecular weight of 276.26 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]butanamide is sourced from PubChem (CID 170583199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).