2-[(4-butylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide

C₂₆H₃₃N₅O₃ — CID 155562920

About 2-[(4-butylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide

2-[(4-butylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155562920) has the molecular formula C₂₆H₃₃N₅O₃ and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-[(4-butylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(4-butylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 155562920
• Molecular Formula: C₂₆H₃₃N₅O₃
• Molecular Weight: 463.58 g/mol
• Exact Mass: 463.26
• IUPAC Name: 2-[(4-butylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCCCc1ccc(C(=O)Nc2nc3ccccn3c2C(=O)NCCCN2CCOCC2)cc1
• InChI: InChI=1S/C26H33N5O3/c1-2-3-7-20-9-11-21(12-10-20)25(32)29-24-23(31-15-5-4-8-22(31)28-24)26(33)27-13-6-14-30-16-18-34-19-17-30/h4-5,8-12,15H,2-3,6-7,13-14,16-19H2,1H3,(H,27,33)(H,29,32)
• InChIKey: GEIOLLJVZPVESR-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.58
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 2-[(4-butylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 155562920) is 2-[(4-butylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 2-[(4-butylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 2-[(4-butylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide is CCCCc1ccc(C(=O)Nc2nc3ccccn3c2C(=O)NCCCN2CCOCC2)cc1.

What is the InChIKey of 2-[(4-butylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is GEIOLLJVZPVESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-2-3-7-20-9-11-21(12-10-20)25(32)29-24-23(31-15-5-4-8-22(31)28-24)26(33)27-13-6-14-30-16-18-34-19-17-30/h4-5,8-12,15H,2-3,6-7,13-14,16-19H2,1H3,(H,27,33)(H,29,32).

What are the key properties of 2-[(4-butylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide?

2-[(4-butylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 3.38, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-butylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155562920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155562920 — identifiers, structure, computed properties (public domain)

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