3,3,3-trifluoro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide

C14H8F7N3O — CID 130473001

IUPAC3,3,3-trifluoro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESO=C(CC(F)(F)F)Nc1ccc(-c2cncc(F)c2)nc1C(F)(F)F
InChIInChI=1S/C14H8F7N3O/c15-8-3-7(5-22-6-8)9-1-2-10(12(24-9)14(19,20)21)23-11(25)4-13(16,17)18/h1-3,5-6H,4H2,(H,23,25)
InChIKeyLVWCHLMPXBNWPV-UHFFFAOYSA-N
MW367.22 g/mol
LogP4.19
Rot. Bonds3

About 3,3,3-trifluoro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide

3,3,3-trifluoro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 130473001) has the molecular formula C14H8F7N3O and a molecular weight of 367.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
PubChem CID130473001
Molecular FormulaC14H8F7N3O
Molecular Weight367.22 g/mol
Exact Mass367.06
IUPAC Name3,3,3-trifluoro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESO=C(CC(F)(F)F)Nc1ccc(-c2cncc(F)c2)nc1C(F)(F)F
InChIInChI=1S/C14H8F7N3O/c15-8-3-7(5-22-6-8)9-1-2-10(12(24-9)14(19,20)21)23-11(25)4-13(16,17)18/h1-3,5-6H,4H2,(H,23,25)
InChIKeyLVWCHLMPXBNWPV-UHFFFAOYSA-N
XLogP4.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130473225
2-cyclohexyl-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130473393
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-phenoxyacetamide
CID 130473217
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide
CID 130472965
1-(2,2-dimethylpropyl)-3-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]urea
CID 130471303
(E)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]but-2-enamide
CID 130472969
N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
CID 145373033
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide
CID 130471345
cyclohexyl N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]carbamate
CID 130471307
6-(5-fluoro-3-pyridinyl)-N,N-dimethyl-2-(trifluoromethyl)pyridin-3-amine
CID 130453759
N-[6-(5-chloro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide;N-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide
CID 159910336
2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyridin-3-amine
CID 130473580

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide (CID 130473001) is 3,3,3-trifluoro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide is O=C(CC(F)(F)F)Nc1ccc(-c2cncc(F)c2)nc1C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide?
The InChIKey is LVWCHLMPXBNWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F7N3O/c15-8-3-7(5-22-6-8)9-1-2-10(12(24-9)14(19,20)21)23-11(25)4-13(16,17)18/h1-3,5-6H,4H2,(H,23,25).
What are the key properties of 3,3,3-trifluoro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide?
3,3,3-trifluoro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 367.22 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 130473001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).