4-methyl-2-oxo-6-pentan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide

C21H24N4O4 — CID 170504386

About 4-methyl-2-oxo-6-pentan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide

4-methyl-2-oxo-6-pentan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide (PubChem CID 170504386) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-methyl-2-oxo-6-pentan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-2-oxo-6-pentan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide
• PubChem CID: 170504386
• Molecular Formula: C21H24N4O4
• Molecular Weight: 396.45 g/mol
• Exact Mass: 396.18
• IUPAC Name: 4-methyl-2-oxo-6-pentan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide
• SMILES: CCCC(C)c1cc(C)c(C(=O)NCCc2nc(-c3ccccn3)no2)c(=O)o1
• InChI: InChI=1S/C21H24N4O4/c1-4-7-13(2)16-12-14(3)18(21(27)28-16)20(26)23-11-9-17-24-19(25-29-17)15-8-5-6-10-22-15/h5-6,8,10,12-13H,4,7,9,11H2,1-3H3,(H,23,26)
• InChIKey: APRFYXXSSQOYOX-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 111.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.45
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-6-pentan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide?

The IUPAC name of 4-methyl-2-oxo-6-pentan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide (CID 170504386) is 4-methyl-2-oxo-6-pentan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide.

What is the SMILES notation for 4-methyl-2-oxo-6-pentan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide?

The canonical SMILES for 4-methyl-2-oxo-6-pentan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide is CCCC(C)c1cc(C)c(C(=O)NCCc2nc(-c3ccccn3)no2)c(=O)o1.

What is the InChIKey of 4-methyl-2-oxo-6-pentan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide?

The InChIKey is APRFYXXSSQOYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-4-7-13(2)16-12-14(3)18(21(27)28-16)20(26)23-11-9-17-24-19(25-29-17)15-8-5-6-10-22-15/h5-6,8,10,12-13H,4,7,9,11H2,1-3H3,(H,23,26).

What are the key properties of 4-methyl-2-oxo-6-pentan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide?

4-methyl-2-oxo-6-pentan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-oxo-6-pentan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide is sourced from PubChem (CID 170504386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).