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

C26H33N5O3 — CID 155562920

IUPAC2-[(4-butylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCc1ccc(C(=O)Nc2nc3ccccn3c2C(=O)NCCCN2CCOCC2)cc1
InChIInChI=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)
InChIKeyGEIOLLJVZPVESR-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.38
Rot. Bonds10

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 Name2-[(4-butylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155562920
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name2-[(4-butylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCc1ccc(C(=O)Nc2nc3ccccn3c2C(=O)NCCCN2CCOCC2)cc1
InChIInChI=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)
InChIKeyGEIOLLJVZPVESR-UHFFFAOYSA-N
XLogP3.38
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).