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

C25H38N6O2 — CID 19419067

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

N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methylbutyl]-N-methyl-8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanamide (PubChem CID 19419067) 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-methylbutyl]-N-methyl-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-methylbutyl]-N-methyl-8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanamide
• PubChem CID: 19419067
• 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-methylbutyl]-N-methyl-8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanamide
• SMILES: CCc1noc(C(CC(C)C)N(C)C(=O)CCCCCCCn2c(C)nc3cnccc32)n1
• InChI: InChI=1S/C25H38N6O2/c1-6-23-28-25(33-29-23)22(16-18(2)3)30(5)24(32)12-10-8-7-9-11-15-31-19(4)27-20-17-26-14-13-21(20)31/h13-14,17-18,22H,6-12,15-16H2,1-5H3
• InChIKey: BQNLBISCNKRZMG-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 89.94 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.62
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	0
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-methylbutyl]-N-methyl-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-methylbutyl]-N-methyl-8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanamide (CID 19419067) is N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methylbutyl]-N-methyl-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-methylbutyl]-N-methyl-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-methylbutyl]-N-methyl-8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanamide is CCc1noc(C(CC(C)C)N(C)C(=O)CCCCCCCn2c(C)nc3cnccc32)n1.

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

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

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

N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methylbutyl]-N-methyl-8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanamide has a molecular weight of 454.62 g/mol, XLogP of 5.27, 13 rotatable bonds, 0 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-methylbutyl]-N-methyl-8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanamide is sourced from PubChem (CID 19419067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).