1-[5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide

C20H22N6O3S — CID 55701099

About 1-[5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55701099) has the molecular formula C20H22N6O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is 1-[5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
• PubChem CID: 55701099
• Molecular Formula: C20H22N6O3S
• Molecular Weight: 426.50 g/mol
• Exact Mass: 426.15
• IUPAC Name: 1-[5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
• SMILES: NC(=O)C1CCCN(c2ccc(NC(=O)CCc3nc(-c4ccsc4)no3)cn2)C1
• InChI: InChI=1S/C20H22N6O3S/c21-19(28)13-2-1-8-26(11-13)16-4-3-15(10-22-16)23-17(27)5-6-18-24-20(25-29-18)14-7-9-30-12-14/h3-4,7,9-10,12-13H,1-2,5-6,8,11H2,(H2,21,28)(H,23,27)
• InChIKey: JUHVEUYJIDMLGL-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 127.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.50
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide?

The IUPAC name of 1-[5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide (CID 55701099) is 1-[5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(NC(=O)CCc3nc(-c4ccsc4)no3)cn2)C1.

What is the InChIKey of 1-[5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide?

The InChIKey is JUHVEUYJIDMLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S/c21-19(28)13-2-1-8-26(11-13)16-4-3-15(10-22-16)23-17(27)5-6-18-24-20(25-29-18)14-7-9-30-12-14/h3-4,7,9-10,12-13H,1-2,5-6,8,11H2,(H2,21,28)(H,23,27).

What are the key properties of 1-[5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide?

1-[5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55701099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).