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

C22H26N6O2 — CID 110252269

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

3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 110252269) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
• PubChem CID: 110252269
• Molecular Formula: C22H26N6O2
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.21
• IUPAC Name: 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
• SMILES: CC(C)c1nnc(CCC(=O)N2CCCC2c2ccc(Nc3ccccn3)cn2)o1
• InChI: InChI=1S/C22H26N6O2/c1-15(2)22-27-26-20(30-22)10-11-21(29)28-13-5-6-18(28)17-9-8-16(14-24-17)25-19-7-3-4-12-23-19/h3-4,7-9,12,14-15,18H,5-6,10-11,13H2,1-2H3,(H,23,25)
• InChIKey: IOAMARSVQTZKHO-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 97.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	4.02
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-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one (CID 110252269) is 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one.

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

The canonical SMILES for 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one is CC(C)c1nnc(CCC(=O)N2CCCC2c2ccc(Nc3ccccn3)cn2)o1.

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

The InChIKey is IOAMARSVQTZKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-15(2)22-27-26-20(30-22)10-11-21(29)28-13-5-6-18(28)17-9-8-16(14-24-17)25-19-7-3-4-12-23-19/h3-4,7-9,12,14-15,18H,5-6,10-11,13H2,1-2H3,(H,23,25).

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

3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 406.49 g/mol, XLogP of 4.02, 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-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110252269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).