3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide

C20H23N5O3 — CID 50748256

About 3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide

3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 50748256) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

• Compound Name: 3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide
• PubChem CID: 50748256
• Molecular Formula: C20H23N5O3
• Molecular Weight: 381.44 g/mol
• Exact Mass: 381.18
• IUPAC Name: 3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide
• SMILES: CCCn1c(C)ccc(-c2noc(CCC(=O)Nc3cccc(C)n3)n2)c1=O
• InChI: InChI=1S/C20H23N5O3/c1-4-12-25-14(3)8-9-15(20(25)27)19-23-18(28-24-19)11-10-17(26)22-16-7-5-6-13(2)21-16/h5-9H,4,10-12H2,1-3H3,(H,21,22,26)
• InChIKey: SPRQMQJUJODXPK-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 102.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.44
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide?

The IUPAC name of 3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide (CID 50748256) is 3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide.

What is the SMILES notation for 3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide?

The canonical SMILES for 3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide is CCCn1c(C)ccc(-c2noc(CCC(=O)Nc3cccc(C)n3)n2)c1=O.

What is the InChIKey of 3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide?

The InChIKey is SPRQMQJUJODXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-4-12-25-14(3)8-9-15(20(25)27)19-23-18(28-24-19)11-10-17(26)22-16-7-5-6-13(2)21-16/h5-9H,4,10-12H2,1-3H3,(H,21,22,26).

What are the key properties of 3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide?

3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 381.44 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 50748256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).