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

C10H11F3N2O — CID 82706557

IUPAC2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H11F3N2O/c1-6(2)9(16)15-7-3-4-8(14-5-7)10(11,12)13/h3-6H,1-2H3,(H,15,16)
InChIKeyJWQHEXMWKOISMD-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.69
Rot. Bonds2

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

2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 82706557) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
PubChem CID82706557
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H11F3N2O/c1-6(2)9(16)15-7-3-4-8(14-5-7)10(11,12)13/h3-6H,1-2H3,(H,15,16)
InChIKeyJWQHEXMWKOISMD-UHFFFAOYSA-N
XLogP2.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
2-piperazin-1-yl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82795400
2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 114329026
(2S)-2-amino-2-phenyl-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 104898299
2-acetamido-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 107769779
N-[(2R)-2-hydroxypropyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide
CID 124652117
(2R)-2-amino-4-methylsulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide
CID 104908933
2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 59943629
2-carbamothioyl-N-[6-(trifluoromethyl)-3-pyridinyl]pentanamide
CID 82817487
N-[6-(trifluoromethyl)-3-pyridinyl]cyclopropanecarboxamide
CID 82707218
(2S)-2-hydroxy-3-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]propanoic acid
CID 107840757
2-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-ol
CID 82811107

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The IUPAC name of 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide (CID 82706557) is 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide.
What is the SMILES notation for 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The canonical SMILES for 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide is CC(C)C(=O)Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The InChIKey is JWQHEXMWKOISMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-6(2)9(16)15-7-3-4-8(14-5-7)10(11,12)13/h3-6H,1-2H3,(H,15,16).
What are the key properties of 2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 232.20 g/mol, XLogP of 2.69, 2 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)-3-pyridinyl]propanamide is sourced from PubChem (CID 82706557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).