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

C20H17N5O — CID 46265169

IUPAC3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
SMILESCc1ccccc1-c1noc(-c2cccnc2NCc2ccccn2)n1
InChIInChI=1S/C20H17N5O/c1-14-7-2-3-9-16(14)19-24-20(26-25-19)17-10-6-12-22-18(17)23-13-15-8-4-5-11-21-15/h2-12H,13H2,1H3,(H,22,23)
InChIKeyKQYLOLBOWGFRMK-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.11
Rot. Bonds5

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

3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine (PubChem CID 46265169) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
PubChem CID46265169
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
SMILESCc1ccccc1-c1noc(-c2cccnc2NCc2ccccn2)n1
InChIInChI=1S/C20H17N5O/c1-14-7-2-3-9-16(14)19-24-20(26-25-19)17-10-6-12-22-18(17)23-13-15-8-4-5-11-21-15/h2-12H,13H2,1H3,(H,22,23)
InChIKeyKQYLOLBOWGFRMK-UHFFFAOYSA-N
XLogP4.11
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine (CID 46265169) is 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine is Cc1ccccc1-c1noc(-c2cccnc2NCc2ccccn2)n1.
What is the InChIKey of 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The InChIKey is KQYLOLBOWGFRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-14-7-2-3-9-16(14)19-24-20(26-25-19)17-10-6-12-22-18(17)23-13-15-8-4-5-11-21-15/h2-12H,13H2,1H3,(H,22,23).
What are the key properties of 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine?
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine has a molecular weight of 343.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 46265169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).