4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-methylbutyl)piperazine-1-carboxamide

C20H28N6O2 — CID 87050197

About 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-methylbutyl)piperazine-1-carboxamide

4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-methylbutyl)piperazine-1-carboxamide (PubChem CID 87050197) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-methylbutyl)piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-methylbutyl)piperazine-1-carboxamide
• PubChem CID: 87050197
• Molecular Formula: C20H28N6O2
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.23
• IUPAC Name: 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-methylbutyl)piperazine-1-carboxamide
• SMILES: CC(C)CCNC(=O)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1
• InChI: InChI=1S/C20H28N6O2/c1-14(2)7-9-22-20(27)26-12-10-25(11-13-26)17-16(4-3-8-21-17)19-24-23-18(28-19)15-5-6-15/h3-4,8,14-15H,5-7,9-13H2,1-2H3,(H,22,27)
• InChIKey: QHKRHIUANSGEDL-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 87.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-methylbutyl)piperazine-1-carboxamide?

The IUPAC name of 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-methylbutyl)piperazine-1-carboxamide (CID 87050197) is 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-methylbutyl)piperazine-1-carboxamide.

What is the SMILES notation for 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-methylbutyl)piperazine-1-carboxamide?

The canonical SMILES for 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-methylbutyl)piperazine-1-carboxamide is CC(C)CCNC(=O)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1.

What is the InChIKey of 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-methylbutyl)piperazine-1-carboxamide?

The InChIKey is QHKRHIUANSGEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-14(2)7-9-22-20(27)26-12-10-25(11-13-26)17-16(4-3-8-21-17)19-24-23-18(28-19)15-5-6-15/h3-4,8,14-15H,5-7,9-13H2,1-2H3,(H,22,27).

What are the key properties of 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-methylbutyl)piperazine-1-carboxamide?

4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-methylbutyl)piperazine-1-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-methylbutyl)piperazine-1-carboxamide is sourced from PubChem (CID 87050197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).