1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine

C13H17N5O — CID 56686570

IUPAC1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
SMILESCc1noc(-c2ccc(N3CCC(N)CC3)nc2)n1
InChIInChI=1S/C13H17N5O/c1-9-16-13(19-17-9)10-2-3-12(15-8-10)18-6-4-11(14)5-7-18/h2-3,8,11H,4-7,14H2,1H3
InChIKeyKGAIXGYMUWJXOP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.37
Rot. Bonds2

About 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine

1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine (PubChem CID 56686570) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
PubChem CID56686570
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
SMILESCc1noc(-c2ccc(N3CCC(N)CC3)nc2)n1
InChIInChI=1S/C13H17N5O/c1-9-16-13(19-17-9)10-2-3-12(15-8-10)18-6-4-11(14)5-7-18/h2-3,8,11H,4-7,14H2,1H3
InChIKeyKGAIXGYMUWJXOP-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine (CID 56686570) is 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine is Cc1noc(-c2ccc(N3CCC(N)CC3)nc2)n1.
What is the InChIKey of 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine?
The InChIKey is KGAIXGYMUWJXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-16-13(19-17-9)10-2-3-12(15-8-10)18-6-4-11(14)5-7-18/h2-3,8,11H,4-7,14H2,1H3.
What are the key properties of 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine?
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 56686570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).