N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methylpentyl]-8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanamide

C25H38N6O2 — CID 57204058

About N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methylpentyl]-8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanamide

N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methylpentyl]-8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanamide (PubChem CID 57204058) has the molecular formula C25H38N6O2 and a molecular weight of 454.62 g/mol. Its IUPAC name is N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methylpentyl]-8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanamide.

Molecular Properties

• Compound Name: N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methylpentyl]-8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanamide
• PubChem CID: 57204058
• Molecular Formula: C25H38N6O2
• Molecular Weight: 454.62 g/mol
• Exact Mass: 454.31
• IUPAC Name: N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methylpentyl]-8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanamide
• SMILES: CCc1noc(C(CC(C)CC)NC(=O)CCCCCCCn2c(C)nc3cnccc32)n1
• InChI: InChI=1S/C25H38N6O2/c1-5-18(3)16-20(25-29-23(6-2)30-33-25)28-24(32)12-10-8-7-9-11-15-31-19(4)27-21-17-26-14-13-22(21)31/h13-14,17-18,20H,5-12,15-16H2,1-4H3,(H,28,32)
• InChIKey: NAKUSPFICLAUJG-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.62
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methylpentyl]-8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanamide?

The IUPAC name of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methylpentyl]-8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanamide (CID 57204058) is N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methylpentyl]-8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanamide.

What is the SMILES notation for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methylpentyl]-8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanamide?

The canonical SMILES for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methylpentyl]-8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanamide is CCc1noc(C(CC(C)CC)NC(=O)CCCCCCCn2c(C)nc3cnccc32)n1.

What is the InChIKey of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methylpentyl]-8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanamide?

The InChIKey is NAKUSPFICLAUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6O2/c1-5-18(3)16-20(25-29-23(6-2)30-33-25)28-24(32)12-10-8-7-9-11-15-31-19(4)27-21-17-26-14-13-22(21)31/h13-14,17-18,20H,5-12,15-16H2,1-4H3,(H,28,32).

What are the key properties of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methylpentyl]-8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanamide?

N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methylpentyl]-8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanamide has a molecular weight of 454.62 g/mol, XLogP of 5.32, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methylpentyl]-8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanamide is sourced from PubChem (CID 57204058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).