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

C20H23N5O — CID 77105955

IUPAC5-(4-methylphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESCc1ccc(-c2cnc(N)c(-c3nnc(C4CCN(C)CC4)o3)c2)cc1
InChIInChI=1S/C20H23N5O/c1-13-3-5-14(6-4-13)16-11-17(18(21)22-12-16)20-24-23-19(26-20)15-7-9-25(2)10-8-15/h3-6,11-12,15H,7-10H2,1-2H3,(H2,21,22)
InChIKeyIIJIPDZRJBAISM-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.50
Rot. Bonds3

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

5-(4-methylphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine (PubChem CID 77105955) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
PubChem CID77105955
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name5-(4-methylphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESCc1ccc(-c2cnc(N)c(-c3nnc(C4CCN(C)CC4)o3)c2)cc1
InChIInChI=1S/C20H23N5O/c1-13-3-5-14(6-4-13)16-11-17(18(21)22-12-16)20-24-23-19(26-20)15-7-9-25(2)10-8-15/h3-6,11-12,15H,7-10H2,1-2H3,(H2,21,22)
InChIKeyIIJIPDZRJBAISM-UHFFFAOYSA-N
XLogP3.50
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The IUPAC name of 5-(4-methylphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine (CID 77105955) is 5-(4-methylphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-(4-methylphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The canonical SMILES for 5-(4-methylphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine is Cc1ccc(-c2cnc(N)c(-c3nnc(C4CCN(C)CC4)o3)c2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The InChIKey is IIJIPDZRJBAISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-3-5-14(6-4-13)16-11-17(18(21)22-12-16)20-24-23-19(26-20)15-7-9-25(2)10-8-15/h3-6,11-12,15H,7-10H2,1-2H3,(H2,21,22).
What are the key properties of 5-(4-methylphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
5-(4-methylphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine has a molecular weight of 349.44 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 77105955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).