4-(2H-oxadiazol-3-yl)-N-phenylpyridine-3-carboxamide

C14H12N4O2 — CID 70160006

IUPAC4-(2H-oxadiazol-3-yl)-N-phenylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cnccc1N1C=CON1
InChIInChI=1S/C14H12N4O2/c19-14(16-11-4-2-1-3-5-11)12-10-15-7-6-13(12)18-8-9-20-17-18/h1-10,17H,(H,16,19)
InChIKeyUTKCRXJZGNXUOF-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.06
Rot. Bonds3

About 4-(2H-oxadiazol-3-yl)-N-phenylpyridine-3-carboxamide

4-(2H-oxadiazol-3-yl)-N-phenylpyridine-3-carboxamide (PubChem CID 70160006) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-(2H-oxadiazol-3-yl)-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2H-oxadiazol-3-yl)-N-phenylpyridine-3-carboxamide
PubChem CID70160006
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name4-(2H-oxadiazol-3-yl)-N-phenylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cnccc1N1C=CON1
InChIInChI=1S/C14H12N4O2/c19-14(16-11-4-2-1-3-5-11)12-10-15-7-6-13(12)18-8-9-20-17-18/h1-10,17H,(H,16,19)
InChIKeyUTKCRXJZGNXUOF-UHFFFAOYSA-N
XLogP2.06
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-oxadiazol-3-yl)-N-phenylpyridine-3-carboxamide?
The IUPAC name of 4-(2H-oxadiazol-3-yl)-N-phenylpyridine-3-carboxamide (CID 70160006) is 4-(2H-oxadiazol-3-yl)-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 4-(2H-oxadiazol-3-yl)-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 4-(2H-oxadiazol-3-yl)-N-phenylpyridine-3-carboxamide is O=C(Nc1ccccc1)c1cnccc1N1C=CON1.
What is the InChIKey of 4-(2H-oxadiazol-3-yl)-N-phenylpyridine-3-carboxamide?
The InChIKey is UTKCRXJZGNXUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c19-14(16-11-4-2-1-3-5-11)12-10-15-7-6-13(12)18-8-9-20-17-18/h1-10,17H,(H,16,19).
What are the key properties of 4-(2H-oxadiazol-3-yl)-N-phenylpyridine-3-carboxamide?
4-(2H-oxadiazol-3-yl)-N-phenylpyridine-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-oxadiazol-3-yl)-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 70160006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).