2-methoxy-6-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid

C17H22N4O4 — CID 154800956

About 2-methoxy-6-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid

2-methoxy-6-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 154800956) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-methoxy-6-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-methoxy-6-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid
• PubChem CID: 154800956
• Molecular Formula: C17H22N4O4
• Molecular Weight: 346.39 g/mol
• Exact Mass: 346.16
• IUPAC Name: 2-methoxy-6-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid
• SMILES: COc1nc(N2CCCC(c3noc(C(C)C)n3)C2)ccc1C(=O)O
• InChI: InChI=1S/C17H22N4O4/c1-10(2)15-19-14(20-25-15)11-5-4-8-21(9-11)13-7-6-12(17(22)23)16(18-13)24-3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,22,23)
• InChIKey: DYJBNHTTWOSKMZ-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 101.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.39
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid?

The IUPAC name of 2-methoxy-6-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid (CID 154800956) is 2-methoxy-6-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid.

What is the SMILES notation for 2-methoxy-6-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid?

The canonical SMILES for 2-methoxy-6-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid is COc1nc(N2CCCC(c3noc(C(C)C)n3)C2)ccc1C(=O)O.

What is the InChIKey of 2-methoxy-6-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid?

The InChIKey is DYJBNHTTWOSKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-10(2)15-19-14(20-25-15)11-5-4-8-21(9-11)13-7-6-12(17(22)23)16(18-13)24-3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,22,23).

What are the key properties of 2-methoxy-6-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid?

2-methoxy-6-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 346.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-6-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 154800956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).