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

C17H18N6O — CID 56770017

IUPAC1-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
SMILESNC1CCCN(c2ncccc2-c2nc(-c3ccccn3)no2)C1
InChIInChI=1S/C17H18N6O/c18-12-5-4-10-23(11-12)16-13(6-3-9-20-16)17-21-15(22-24-17)14-7-1-2-8-19-14/h1-3,6-9,12H,4-5,10-11,18H2
InChIKeyFUUGJUDCDUFJOX-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.12
Rot. Bonds3

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

1-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine (PubChem CID 56770017) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
PubChem CID56770017
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name1-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
SMILESNC1CCCN(c2ncccc2-c2nc(-c3ccccn3)no2)C1
InChIInChI=1S/C17H18N6O/c18-12-5-4-10-23(11-12)16-13(6-3-9-20-16)17-21-15(22-24-17)14-7-1-2-8-19-14/h1-3,6-9,12H,4-5,10-11,18H2
InChIKeyFUUGJUDCDUFJOX-UHFFFAOYSA-N
XLogP2.12
TPSA93.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine?
The IUPAC name of 1-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine (CID 56770017) is 1-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine.
What is the SMILES notation for 1-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine?
The canonical SMILES for 1-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine is NC1CCCN(c2ncccc2-c2nc(-c3ccccn3)no2)C1.
What is the InChIKey of 1-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine?
The InChIKey is FUUGJUDCDUFJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c18-12-5-4-10-23(11-12)16-13(6-3-9-20-16)17-21-15(22-24-17)14-7-1-2-8-19-14/h1-3,6-9,12H,4-5,10-11,18H2.
What are the key properties of 1-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine?
1-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine has a molecular weight of 322.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 56770017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).