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

C16H22N4O3 — CID 118774071

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

3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide (PubChem CID 118774071) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
• PubChem CID: 118774071
• Molecular Formula: C16H22N4O3
• Molecular Weight: 318.38 g/mol
• Exact Mass: 318.17
• IUPAC Name: 3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
• SMILES: Cc1cccc(=O)n1CCC(=O)NCCc1noc(C(C)C)n1
• InChI: InChI=1S/C16H22N4O3/c1-11(2)16-18-13(19-23-16)7-9-17-14(21)8-10-20-12(3)5-4-6-15(20)22/h4-6,11H,7-10H2,1-3H3,(H,17,21)
• InChIKey: QYQQNPHZIALEDF-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 90.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.38
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide (CID 118774071) is 3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide.

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

The canonical SMILES for 3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide is Cc1cccc(=O)n1CCC(=O)NCCc1noc(C(C)C)n1.

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

The InChIKey is QYQQNPHZIALEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11(2)16-18-13(19-23-16)7-9-17-14(21)8-10-20-12(3)5-4-6-15(20)22/h4-6,11H,7-10H2,1-3H3,(H,17,21).

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

3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide has a molecular weight of 318.38 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 118774071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).