5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine

C19H15FN6O — CID 28871899

IUPAC5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine
SMILESCN(Cc1cnccn1)c1ccc(-c2nc(-c3ccccc3F)no2)cn1
InChIInChI=1S/C19H15FN6O/c1-26(12-14-11-21-8-9-22-14)17-7-6-13(10-23-17)19-24-18(25-27-19)15-4-2-3-5-16(15)20/h2-11H,12H2,1H3
InChIKeyQIVNTUHMOPRGDS-UHFFFAOYSA-N
MW362.37 g/mol
LogP3.36
Rot. Bonds5

About 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine

5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine (PubChem CID 28871899) has the molecular formula C19H15FN6O and a molecular weight of 362.37 g/mol. Its IUPAC name is 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine
PubChem CID28871899
Molecular FormulaC19H15FN6O
Molecular Weight362.37 g/mol
Exact Mass362.13
IUPAC Name5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine
SMILESCN(Cc1cnccn1)c1ccc(-c2nc(-c3ccccc3F)no2)cn1
InChIInChI=1S/C19H15FN6O/c1-26(12-14-11-21-8-9-22-14)17-7-6-13(10-23-17)19-24-18(25-27-19)15-4-2-3-5-16(15)20/h2-11H,12H2,1H3
InChIKeyQIVNTUHMOPRGDS-UHFFFAOYSA-N
XLogP3.36
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine (CID 28871899) is 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine is CN(Cc1cnccn1)c1ccc(-c2nc(-c3ccccc3F)no2)cn1.
What is the InChIKey of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine?
The InChIKey is QIVNTUHMOPRGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O/c1-26(12-14-11-21-8-9-22-14)17-7-6-13(10-23-17)19-24-18(25-27-19)15-4-2-3-5-16(15)20/h2-11H,12H2,1H3.
What are the key properties of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine?
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine has a molecular weight of 362.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 28871899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).