N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide

C17H8FN7O4 — CID 67435028

IUPACN-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide
SMILESN#Cc1cc(-n2c(-c3nonc3NC(=O)c3ccncc3)noc2=O)ccc1F
InChIInChI=1S/C17H8FN7O4/c18-12-2-1-11(7-10(12)8-19)25-15(24-28-17(25)27)13-14(23-29-22-13)21-16(26)9-3-5-20-6-4-9/h1-7H,(H,21,23,26)
InChIKeyDNZPZGGARYXDKW-UHFFFAOYSA-N
MW393.29 g/mol
LogP1.53
Rot. Bonds4

About N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide

N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide (PubChem CID 67435028) has the molecular formula C17H8FN7O4 and a molecular weight of 393.29 g/mol. Its IUPAC name is N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide
PubChem CID67435028
Molecular FormulaC17H8FN7O4
Molecular Weight393.29 g/mol
Exact Mass393.06
IUPAC NameN-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide
SMILESN#Cc1cc(-n2c(-c3nonc3NC(=O)c3ccncc3)noc2=O)ccc1F
InChIInChI=1S/C17H8FN7O4/c18-12-2-1-11(7-10(12)8-19)25-15(24-28-17(25)27)13-14(23-29-22-13)21-16(26)9-3-5-20-6-4-9/h1-7H,(H,21,23,26)
InChIKeyDNZPZGGARYXDKW-UHFFFAOYSA-N
XLogP1.53
TPSA152.73 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide (CID 67435028) is N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide is N#Cc1cc(-n2c(-c3nonc3NC(=O)c3ccncc3)noc2=O)ccc1F.
What is the InChIKey of N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide?
The InChIKey is DNZPZGGARYXDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8FN7O4/c18-12-2-1-11(7-10(12)8-19)25-15(24-28-17(25)27)13-14(23-29-22-13)21-16(26)9-3-5-20-6-4-9/h1-7H,(H,21,23,26).
What are the key properties of N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide?
N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide has a molecular weight of 393.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 67435028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).