N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide

C18H12N4O2S — CID 3240032

IUPACN-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2noc(-c3cccs3)n2)cc1)c1cccnc1
InChIInChI=1S/C18H12N4O2S/c23-17(13-3-1-9-19-11-13)20-14-7-5-12(6-8-14)16-21-18(24-22-16)15-4-2-10-25-15/h1-11H,(H,20,23)
InChIKeyHMZVTBHSSAEYDI-UHFFFAOYSA-N
MW348.39 g/mol
LogP4.11
Rot. Bonds4

About N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide

N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide (PubChem CID 3240032) has the molecular formula C18H12N4O2S and a molecular weight of 348.39 g/mol. Its IUPAC name is N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide
PubChem CID3240032
Molecular FormulaC18H12N4O2S
Molecular Weight348.39 g/mol
Exact Mass348.07
IUPAC NameN-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2noc(-c3cccs3)n2)cc1)c1cccnc1
InChIInChI=1S/C18H12N4O2S/c23-17(13-3-1-9-19-11-13)20-14-7-5-12(6-8-14)16-21-18(24-22-16)15-4-2-10-25-15/h1-11H,(H,20,23)
InChIKeyHMZVTBHSSAEYDI-UHFFFAOYSA-N
XLogP4.11
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide (CID 3240032) is N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(-c2noc(-c3cccs3)n2)cc1)c1cccnc1.
What is the InChIKey of N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is HMZVTBHSSAEYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2S/c23-17(13-3-1-9-19-11-13)20-14-7-5-12(6-8-14)16-21-18(24-22-16)15-4-2-10-25-15/h1-11H,(H,20,23).
What are the key properties of N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide?
N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 348.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 3240032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).