2-[4-[[5-(pyridin-4-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile

C19H19N7OS — CID 137344117

IUPAC2-[4-[[5-(pyridin-4-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(Nc2nnc(CSc3ccncc3)o2)CC1
InChIInChI=1S/C19H19N7OS/c20-12-14-2-1-7-22-18(14)26-10-5-15(6-11-26)23-19-25-24-17(27-19)13-28-16-3-8-21-9-4-16/h1-4,7-9,15H,5-6,10-11,13H2,(H,23,25)
InChIKeyHCEMIXMSXNFKTG-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.10
Rot. Bonds6

About 2-[4-[[5-(pyridin-4-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile

2-[4-[[5-(pyridin-4-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 137344117) has the molecular formula C19H19N7OS and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-[4-[[5-(pyridin-4-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[[5-(pyridin-4-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID137344117
Molecular FormulaC19H19N7OS
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC Name2-[4-[[5-(pyridin-4-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(Nc2nnc(CSc3ccncc3)o2)CC1
InChIInChI=1S/C19H19N7OS/c20-12-14-2-1-7-22-18(14)26-10-5-15(6-11-26)23-19-25-24-17(27-19)13-28-16-3-8-21-9-4-16/h1-4,7-9,15H,5-6,10-11,13H2,(H,23,25)
InChIKeyHCEMIXMSXNFKTG-UHFFFAOYSA-N
XLogP3.10
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(pyridin-4-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[[5-(pyridin-4-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile (CID 137344117) is 2-[4-[[5-(pyridin-4-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[[5-(pyridin-4-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[[5-(pyridin-4-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCC(Nc2nnc(CSc3ccncc3)o2)CC1.
What is the InChIKey of 2-[4-[[5-(pyridin-4-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is HCEMIXMSXNFKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7OS/c20-12-14-2-1-7-22-18(14)26-10-5-15(6-11-26)23-19-25-24-17(27-19)13-28-16-3-8-21-9-4-16/h1-4,7-9,15H,5-6,10-11,13H2,(H,23,25).
What are the key properties of 2-[4-[[5-(pyridin-4-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile?
2-[4-[[5-(pyridin-4-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 393.48 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(pyridin-4-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 137344117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).