2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-3-carboxamide

C18H17FN4O2S — CID 67521992

IUPAC2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1nnco1)c1cccnc1SCCCc1ccc(F)cc1
InChIInChI=1S/C18H17FN4O2S/c19-14-7-5-13(6-8-14)3-2-10-26-18-15(4-1-9-20-18)17(24)21-11-16-23-22-12-25-16/h1,4-9,12H,2-3,10-11H2,(H,21,24)
InChIKeyJLNYPNBIJGMCOT-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.26
Rot. Bonds8

About 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-3-carboxamide

2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 67521992) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-3-carboxamide
PubChem CID67521992
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1nnco1)c1cccnc1SCCCc1ccc(F)cc1
InChIInChI=1S/C18H17FN4O2S/c19-14-7-5-13(6-8-14)3-2-10-26-18-15(4-1-9-20-18)17(24)21-11-16-23-22-12-25-16/h1,4-9,12H,2-3,10-11H2,(H,21,24)
InChIKeyJLNYPNBIJGMCOT-UHFFFAOYSA-N
XLogP3.26
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-3-carboxamide (CID 67521992) is 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1nnco1)c1cccnc1SCCCc1ccc(F)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is JLNYPNBIJGMCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c19-14-7-5-13(6-8-14)3-2-10-26-18-15(4-1-9-20-18)17(24)21-11-16-23-22-12-25-16/h1,4-9,12H,2-3,10-11H2,(H,21,24).
What are the key properties of 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-3-carboxamide?
2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 67521992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).