N-(4-fluorophenyl)-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methylsulfanyl]pyridine-3-carboxamide

C22H17FN4O2S — CID 46897628

IUPACN-(4-fluorophenyl)-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methylsulfanyl]pyridine-3-carboxamide
SMILESCc1nc(-c2cccc(CSc3ccc(C(=O)Nc4ccc(F)cc4)cn3)c2)no1
InChIInChI=1S/C22H17FN4O2S/c1-14-25-21(27-29-14)16-4-2-3-15(11-16)13-30-20-10-5-17(12-24-20)22(28)26-19-8-6-18(23)7-9-19/h2-12H,13H2,1H3,(H,26,28)
InChIKeyUVDLCESRTFKSKX-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.12
Rot. Bonds6

About N-(4-fluorophenyl)-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methylsulfanyl]pyridine-3-carboxamide

N-(4-fluorophenyl)-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methylsulfanyl]pyridine-3-carboxamide (PubChem CID 46897628) has the molecular formula C22H17FN4O2S and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methylsulfanyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methylsulfanyl]pyridine-3-carboxamide
PubChem CID46897628
Molecular FormulaC22H17FN4O2S
Molecular Weight420.47 g/mol
Exact Mass420.11
IUPAC NameN-(4-fluorophenyl)-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methylsulfanyl]pyridine-3-carboxamide
SMILESCc1nc(-c2cccc(CSc3ccc(C(=O)Nc4ccc(F)cc4)cn3)c2)no1
InChIInChI=1S/C22H17FN4O2S/c1-14-25-21(27-29-14)16-4-2-3-15(11-16)13-30-20-10-5-17(12-24-20)22(28)26-19-8-6-18(23)7-9-19/h2-12H,13H2,1H3,(H,26,28)
InChIKeyUVDLCESRTFKSKX-UHFFFAOYSA-N
XLogP5.12
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methylsulfanyl]pyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methylsulfanyl]pyridine-3-carboxamide (CID 46897628) is N-(4-fluorophenyl)-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methylsulfanyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methylsulfanyl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methylsulfanyl]pyridine-3-carboxamide is Cc1nc(-c2cccc(CSc3ccc(C(=O)Nc4ccc(F)cc4)cn3)c2)no1.
What is the InChIKey of N-(4-fluorophenyl)-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methylsulfanyl]pyridine-3-carboxamide?
The InChIKey is UVDLCESRTFKSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2S/c1-14-25-21(27-29-14)16-4-2-3-15(11-16)13-30-20-10-5-17(12-24-20)22(28)26-19-8-6-18(23)7-9-19/h2-12H,13H2,1H3,(H,26,28).
What are the key properties of N-(4-fluorophenyl)-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methylsulfanyl]pyridine-3-carboxamide?
N-(4-fluorophenyl)-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methylsulfanyl]pyridine-3-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methylsulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 46897628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).