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

C13H17N5O — CID 146552518

IUPAC5-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESCN1CCC(c2nnc(-c3ccc(N)nc3)o2)CC1
InChIInChI=1S/C13H17N5O/c1-18-6-4-9(5-7-18)12-16-17-13(19-12)10-2-3-11(14)15-8-10/h2-3,8-9H,4-7H2,1H3,(H2,14,15)
InChIKeyIMHUIVOSZXAAIW-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.52
Rot. Bonds2

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

5-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine (PubChem CID 146552518) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
PubChem CID146552518
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name5-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESCN1CCC(c2nnc(-c3ccc(N)nc3)o2)CC1
InChIInChI=1S/C13H17N5O/c1-18-6-4-9(5-7-18)12-16-17-13(19-12)10-2-3-11(14)15-8-10/h2-3,8-9H,4-7H2,1H3,(H2,14,15)
InChIKeyIMHUIVOSZXAAIW-UHFFFAOYSA-N
XLogP1.52
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The IUPAC name of 5-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine (CID 146552518) is 5-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The canonical SMILES for 5-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine is CN1CCC(c2nnc(-c3ccc(N)nc3)o2)CC1.
What is the InChIKey of 5-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The InChIKey is IMHUIVOSZXAAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-18-6-4-9(5-7-18)12-16-17-13(19-12)10-2-3-11(14)15-8-10/h2-3,8-9H,4-7H2,1H3,(H2,14,15).
What are the key properties of 5-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
5-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine has a molecular weight of 259.31 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 146552518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).