2-[2-oxo-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(4-phenylbutan-2-yl)acetamide

C23H22N6O3 — CID 71794594

IUPAC2-[2-oxo-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cn1cccc(-c2nc(-c3cnccn3)no2)c1=O
InChIInChI=1S/C23H22N6O3/c1-16(9-10-17-6-3-2-4-7-17)26-20(30)15-29-13-5-8-18(23(29)31)22-27-21(28-32-22)19-14-24-11-12-25-19/h2-8,11-14,16H,9-10,15H2,1H3,(H,26,30)
InChIKeyZAVKRXHLHMCLBZ-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.49
Rot. Bonds8

About 2-[2-oxo-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(4-phenylbutan-2-yl)acetamide

2-[2-oxo-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 71794594) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 2-[2-oxo-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-oxo-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(4-phenylbutan-2-yl)acetamide
PubChem CID71794594
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name2-[2-oxo-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cn1cccc(-c2nc(-c3cnccn3)no2)c1=O
InChIInChI=1S/C23H22N6O3/c1-16(9-10-17-6-3-2-4-7-17)26-20(30)15-29-13-5-8-18(23(29)31)22-27-21(28-32-22)19-14-24-11-12-25-19/h2-8,11-14,16H,9-10,15H2,1H3,(H,26,30)
InChIKeyZAVKRXHLHMCLBZ-UHFFFAOYSA-N
XLogP2.49
TPSA115.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-[2-oxo-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(4-phenylbutan-2-yl)acetamide (CID 71794594) is 2-[2-oxo-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[2-oxo-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-[2-oxo-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)Cn1cccc(-c2nc(-c3cnccn3)no2)c1=O.
What is the InChIKey of 2-[2-oxo-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is ZAVKRXHLHMCLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-16(9-10-17-6-3-2-4-7-17)26-20(30)15-29-13-5-8-18(23(29)31)22-27-21(28-32-22)19-14-24-11-12-25-19/h2-8,11-14,16H,9-10,15H2,1H3,(H,26,30).
What are the key properties of 2-[2-oxo-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(4-phenylbutan-2-yl)acetamide?
2-[2-oxo-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 430.47 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 71794594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).