6-pentan-3-yl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide

C12H15F3N2O3S — CID 121422706

IUPAC6-pentan-3-yl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide
SMILESCCC(CC)c1cccc(C(=O)NS(=O)(=O)C(F)(F)F)n1
InChIInChI=1S/C12H15F3N2O3S/c1-3-8(4-2)9-6-5-7-10(16-9)11(18)17-21(19,20)12(13,14)15/h5-8H,3-4H2,1-2H3,(H,17,18)
InChIKeyFZVUKATUKGSSDS-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.56
Rot. Bonds5

About 6-pentan-3-yl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide

6-pentan-3-yl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide (PubChem CID 121422706) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is 6-pentan-3-yl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-pentan-3-yl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide
PubChem CID121422706
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC Name6-pentan-3-yl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide
SMILESCCC(CC)c1cccc(C(=O)NS(=O)(=O)C(F)(F)F)n1
InChIInChI=1S/C12H15F3N2O3S/c1-3-8(4-2)9-6-5-7-10(16-9)11(18)17-21(19,20)12(13,14)15/h5-8H,3-4H2,1-2H3,(H,17,18)
InChIKeyFZVUKATUKGSSDS-UHFFFAOYSA-N
XLogP2.56
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-pentan-3-yl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide?
The IUPAC name of 6-pentan-3-yl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide (CID 121422706) is 6-pentan-3-yl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-pentan-3-yl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide?
The canonical SMILES for 6-pentan-3-yl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide is CCC(CC)c1cccc(C(=O)NS(=O)(=O)C(F)(F)F)n1.
What is the InChIKey of 6-pentan-3-yl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide?
The InChIKey is FZVUKATUKGSSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c1-3-8(4-2)9-6-5-7-10(16-9)11(18)17-21(19,20)12(13,14)15/h5-8H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 6-pentan-3-yl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide?
6-pentan-3-yl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide has a molecular weight of 324.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentan-3-yl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide is sourced from PubChem (CID 121422706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).