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

C13H17N5O — CID 56770081

IUPAC1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
SMILESCc1noc(-c2ccnc(N3CCCC(N)C3)c2)n1
InChIInChI=1S/C13H17N5O/c1-9-16-13(19-17-9)10-4-5-15-12(7-10)18-6-2-3-11(14)8-18/h4-5,7,11H,2-3,6,8,14H2,1H3
InChIKeyILBIUFRSKAEVAO-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.37
Rot. Bonds2

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

1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine (PubChem CID 56770081) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
PubChem CID56770081
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
SMILESCc1noc(-c2ccnc(N3CCCC(N)C3)c2)n1
InChIInChI=1S/C13H17N5O/c1-9-16-13(19-17-9)10-4-5-15-12(7-10)18-6-2-3-11(14)8-18/h4-5,7,11H,2-3,6,8,14H2,1H3
InChIKeyILBIUFRSKAEVAO-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-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine?
The IUPAC name of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine (CID 56770081) is 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine.
What is the SMILES notation for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine?
The canonical SMILES for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine is Cc1noc(-c2ccnc(N3CCCC(N)C3)c2)n1.
What is the InChIKey of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine?
The InChIKey is ILBIUFRSKAEVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-16-13(19-17-9)10-4-5-15-12(7-10)18-6-2-3-11(14)8-18/h4-5,7,11H,2-3,6,8,14H2,1H3.
What are the key properties of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine?
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-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-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 56770081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).