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

C10H11F3N2O2 — CID 170388004

IUPACN-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C10H11F3N2O2/c1-3-8(16)14-6-4-5-7(10(11,12)13)15(2)9(6)17/h4-5H,3H2,1-2H3,(H,14,16)
InChIKeyYLGKXZKAFUDBCI-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.75
Rot. Bonds2

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

N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 170388004) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]propanamide
PubChem CID170388004
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC NameN-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C10H11F3N2O2/c1-3-8(16)14-6-4-5-7(10(11,12)13)15(2)9(6)17/h4-5H,3H2,1-2H3,(H,14,16)
InChIKeyYLGKXZKAFUDBCI-UHFFFAOYSA-N
XLogP1.75
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]propanamide?
The IUPAC name of N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]propanamide (CID 170388004) is N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]propanamide.
What is the SMILES notation for N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]propanamide?
The canonical SMILES for N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]propanamide is CCC(=O)Nc1ccc(C(F)(F)F)n(C)c1=O.
What is the InChIKey of N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]propanamide?
The InChIKey is YLGKXZKAFUDBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-3-8(16)14-6-4-5-7(10(11,12)13)15(2)9(6)17/h4-5H,3H2,1-2H3,(H,14,16).
What are the key properties of N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]propanamide?
N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 248.20 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 170388004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).