3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one

C21H24N6O2 — CID 110093679

About 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one

3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 110093679) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
• PubChem CID: 110093679
• Molecular Formula: C21H24N6O2
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.20
• IUPAC Name: 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
• SMILES: Cc1cccc(Nc2cccc(C3CCCN3C(=O)CCc3nc(C)no3)n2)n1
• InChI: InChI=1S/C21H24N6O2/c1-14-6-3-9-18(22-14)25-19-10-4-7-16(24-19)17-8-5-13-27(17)21(28)12-11-20-23-15(2)26-29-20/h3-4,6-7,9-10,17H,5,8,11-13H2,1-2H3,(H,22,24,25)
• InChIKey: PUWPIIDIEROBTN-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 97.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one (CID 110093679) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one.

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

The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one is Cc1cccc(Nc2cccc(C3CCCN3C(=O)CCc3nc(C)no3)n2)n1.

What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?

The InChIKey is PUWPIIDIEROBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-6-3-9-18(22-14)25-19-10-4-7-16(24-19)17-8-5-13-27(17)21(28)12-11-20-23-15(2)26-29-20/h3-4,6-7,9-10,17H,5,8,11-13H2,1-2H3,(H,22,24,25).

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

3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 392.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110093679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).