2-(difluoromethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide

C14H11F2N5OS — CID 78806100

IUPAC2-(difluoromethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1nnc2ccccn12)c1cccnc1SC(F)F
InChIInChI=1S/C14H11F2N5OS/c15-14(16)23-13-9(4-3-6-17-13)12(22)18-8-11-20-19-10-5-1-2-7-21(10)11/h1-7,14H,8H2,(H,18,22)
InChIKeyIVKIXFPSNPJKSL-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.37
Rot. Bonds5

About 2-(difluoromethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide

2-(difluoromethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 78806100) has the molecular formula C14H11F2N5OS and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID78806100
Molecular FormulaC14H11F2N5OS
Molecular Weight335.34 g/mol
Exact Mass335.07
IUPAC Name2-(difluoromethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1nnc2ccccn12)c1cccnc1SC(F)F
InChIInChI=1S/C14H11F2N5OS/c15-14(16)23-13-9(4-3-6-17-13)12(22)18-8-11-20-19-10-5-1-2-7-21(10)11/h1-7,14H,8H2,(H,18,22)
InChIKeyIVKIXFPSNPJKSL-UHFFFAOYSA-N
XLogP2.37
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 78806100) is 2-(difluoromethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide is O=C(NCc1nnc2ccccn12)c1cccnc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is IVKIXFPSNPJKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5OS/c15-14(16)23-13-9(4-3-6-17-13)12(22)18-8-11-20-19-10-5-1-2-7-21(10)11/h1-7,14H,8H2,(H,18,22).
What are the key properties of 2-(difluoromethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide?
2-(difluoromethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 335.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 78806100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).