1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid

C18H17N5O3 — CID 56770146

About 1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid

1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid (PubChem CID 56770146) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
• PubChem CID: 56770146
• Molecular Formula: C18H17N5O3
• Molecular Weight: 351.37 g/mol
• Exact Mass: 351.13
• IUPAC Name: 1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
• SMILES: O=C(O)C1CCCN(c2cc(-c3nc(-c4ccccn4)no3)ccn2)C1
• InChI: InChI=1S/C18H17N5O3/c24-18(25)13-4-3-9-23(11-13)15-10-12(6-8-20-15)17-21-16(22-26-17)14-5-1-2-7-19-14/h1-2,5-8,10,13H,3-4,9,11H2,(H,24,25)
• InChIKey: IUOWGWKJEFVILP-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 105.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.37
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid?

The IUPAC name of 1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid (CID 56770146) is 1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid.

What is the SMILES notation for 1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid?

The canonical SMILES for 1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2cc(-c3nc(-c4ccccn4)no3)ccn2)C1.

What is the InChIKey of 1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid?

The InChIKey is IUOWGWKJEFVILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c24-18(25)13-4-3-9-23(11-13)15-10-12(6-8-20-15)17-21-16(22-26-17)14-5-1-2-7-19-14/h1-2,5-8,10,13H,3-4,9,11H2,(H,24,25).

What are the key properties of 1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid?

1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid has a molecular weight of 351.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 56770146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).