N-(2-methoxyethyl)-6-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide

C23H28N6O3 — CID 86941355

About N-(2-methoxyethyl)-6-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide

N-(2-methoxyethyl)-6-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 86941355) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-6-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
• PubChem CID: 86941355
• Molecular Formula: C23H28N6O3
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.22
• IUPAC Name: N-(2-methoxyethyl)-6-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
• SMILES: COCCNC(=O)c1ccc(N2CCN(Cc3nc(-c4ccccc4C)no3)CC2)nc1
• InChI: InChI=1S/C23H28N6O3/c1-17-5-3-4-6-19(17)22-26-21(32-27-22)16-28-10-12-29(13-11-28)20-8-7-18(15-25-20)23(30)24-9-14-31-2/h3-8,15H,9-14,16H2,1-2H3,(H,24,30)
• InChIKey: YWBSFHGIFMCJHC-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 96.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-(2-methoxyethyl)-6-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide (CID 86941355) is N-(2-methoxyethyl)-6-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-(2-methoxyethyl)-6-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-(2-methoxyethyl)-6-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide is COCCNC(=O)c1ccc(N2CCN(Cc3nc(-c4ccccc4C)no3)CC2)nc1.

What is the InChIKey of N-(2-methoxyethyl)-6-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide?

The InChIKey is YWBSFHGIFMCJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-17-5-3-4-6-19(17)22-26-21(32-27-22)16-28-10-12-29(13-11-28)20-8-7-18(15-25-20)23(30)24-9-14-31-2/h3-8,15H,9-14,16H2,1-2H3,(H,24,30).

What are the key properties of N-(2-methoxyethyl)-6-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide?

N-(2-methoxyethyl)-6-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-6-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 86941355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).