3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one

C23H28N6O2 — CID 110094009

About 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one

3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one (PubChem CID 110094009) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
• PubChem CID: 110094009
• Molecular Formula: C23H28N6O2
• Molecular Weight: 420.52 g/mol
• Exact Mass: 420.23
• IUPAC Name: 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
• SMILES: CC(C)c1nnc(CCC(=O)N2CCC(c3cccc(Nc4ccccn4)n3)CC2)o1
• InChI: InChI=1S/C23H28N6O2/c1-16(2)23-28-27-21(31-23)9-10-22(30)29-14-11-17(12-15-29)18-6-5-8-20(25-18)26-19-7-3-4-13-24-19/h3-8,13,16-17H,9-12,14-15H2,1-2H3,(H,24,25,26)
• InChIKey: SLETWUDWPAHNHU-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 97.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.52
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one?

The IUPAC name of 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one (CID 110094009) is 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one is CC(C)c1nnc(CCC(=O)N2CCC(c3cccc(Nc4ccccn4)n3)CC2)o1.

What is the InChIKey of 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one?

The InChIKey is SLETWUDWPAHNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-16(2)23-28-27-21(31-23)9-10-22(30)29-14-11-17(12-15-29)18-6-5-8-20(25-18)26-19-7-3-4-13-24-19/h3-8,13,16-17H,9-12,14-15H2,1-2H3,(H,24,25,26).

What are the key properties of 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one?

3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one has a molecular weight of 420.52 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110094009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).