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

C18H25N5O2 — CID 127246757

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

1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one (PubChem CID 127246757) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
• PubChem CID: 127246757
• Molecular Formula: C18H25N5O2
• Molecular Weight: 343.43 g/mol
• Exact Mass: 343.20
• IUPAC Name: 1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
• SMILES: CNc1cc(C2CCCN2C(=O)CCc2nnc(C(C)C)o2)ccn1
• InChI: InChI=1S/C18H25N5O2/c1-12(2)18-22-21-16(25-18)6-7-17(24)23-10-4-5-14(23)13-8-9-20-15(11-13)19-3/h8-9,11-12,14H,4-7,10H2,1-3H3,(H,19,20)
• InChIKey: DLERZKDYEVXTDD-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.43
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one (CID 127246757) is 1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one.

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

The canonical SMILES for 1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one is CNc1cc(C2CCCN2C(=O)CCc2nnc(C(C)C)o2)ccn1.

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

The InChIKey is DLERZKDYEVXTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12(2)18-22-21-16(25-18)6-7-17(24)23-10-4-5-14(23)13-8-9-20-15(11-13)19-3/h8-9,11-12,14H,4-7,10H2,1-3H3,(H,19,20).

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

1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one has a molecular weight of 343.43 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one is sourced from PubChem (CID 127246757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).