2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

C17H24N6O2 — CID 96512054

About 2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 96512054) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 96512054
• Molecular Formula: C17H24N6O2
• Molecular Weight: 344.42 g/mol
• Exact Mass: 344.20
• IUPAC Name: 2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
• SMILES: Cc1nc(CN(C)[C@@H]2CCN(CC(=O)NCc3ccccn3)C2)no1
• InChI: InChI=1S/C17H24N6O2/c1-13-20-16(21-25-13)11-22(2)15-6-8-23(10-15)12-17(24)19-9-14-5-3-4-7-18-14/h3-5,7,15H,6,8-12H2,1-2H3,(H,19,24)/t15-/m1/s1
• InChIKey: ACMQGHOUDPRHFI-OAHLLOKOSA-N
• XLogP: 0.60
• TPSA: 87.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.42
LogP ≤ 5	0.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of 2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 96512054) is 2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for 2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is Cc1nc(CN(C)[C@@H]2CCN(CC(=O)NCc3ccccn3)C2)no1.

What is the InChIKey of 2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is ACMQGHOUDPRHFI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-13-20-16(21-25-13)11-22(2)15-6-8-23(10-15)12-17(24)19-9-14-5-3-4-7-18-14/h3-5,7,15H,6,8-12H2,1-2H3,(H,19,24)/t15-/m1/s1.

What are the key properties of 2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?

2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 344.42 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 96512054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).