2-ethyl-3-[ethyl(2-phenylethylcarbamoyl)amino]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide

C27H33N7O2 — CID 46943837

IUPAC2-ethyl-3-[ethyl(2-phenylethylcarbamoyl)amino]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCCn3ccnc3)cn2c1N(CC)C(=O)NCCc1ccccc1
InChIInChI=1S/C27H33N7O2/c1-3-23-26(33(4-2)27(36)30-15-13-21-9-6-5-7-10-21)34-19-22(11-12-24(34)31-23)25(35)29-14-8-17-32-18-16-28-20-32/h5-7,9-12,16,18-20H,3-4,8,13-15,17H2,1-2H3,(H,29,35)(H,30,36)
InChIKeyXHYLIKZCQYHFNT-UHFFFAOYSA-N
MW487.61 g/mol
LogP3.69
Rot. Bonds11

About 2-ethyl-3-[ethyl(2-phenylethylcarbamoyl)amino]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide

2-ethyl-3-[ethyl(2-phenylethylcarbamoyl)amino]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46943837) has the molecular formula C27H33N7O2 and a molecular weight of 487.61 g/mol. Its IUPAC name is 2-ethyl-3-[ethyl(2-phenylethylcarbamoyl)amino]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-ethyl-3-[ethyl(2-phenylethylcarbamoyl)amino]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46943837
Molecular FormulaC27H33N7O2
Molecular Weight487.61 g/mol
Exact Mass487.27
IUPAC Name2-ethyl-3-[ethyl(2-phenylethylcarbamoyl)amino]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCCn3ccnc3)cn2c1N(CC)C(=O)NCCc1ccccc1
InChIInChI=1S/C27H33N7O2/c1-3-23-26(33(4-2)27(36)30-15-13-21-9-6-5-7-10-21)34-19-22(11-12-24(34)31-23)25(35)29-14-8-17-32-18-16-28-20-32/h5-7,9-12,16,18-20H,3-4,8,13-15,17H2,1-2H3,(H,29,35)(H,30,36)
InChIKeyXHYLIKZCQYHFNT-UHFFFAOYSA-N
XLogP3.69
TPSA96.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[butyl(methyl)amino]-N-(3-imidazol-1-ylpropyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 46943503
1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea
CID 4832222
1-(3-imidazol-1-ylpropyl)-2-methyl-3-(2-phenylethyl)guanidine
CID 111135289
1-(3-imidazol-1-ylpropyl)-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135288
N-(3-imidazol-1-ylpropyl)-1-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42881037
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 72851675
N-(3-imidazol-1-ylpropyl)-1-methylpyridin-1-ium-4-carboxamide
CID 39847983
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
N-(3-imidazol-1-ylpropyl)-3-iodo-4-methylbenzamide
CID 118203012
3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 43333555
N-(3-imidazol-1-ylpropyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 74232139

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[ethyl(2-phenylethylcarbamoyl)amino]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-ethyl-3-[ethyl(2-phenylethylcarbamoyl)amino]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 46943837) is 2-ethyl-3-[ethyl(2-phenylethylcarbamoyl)amino]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-ethyl-3-[ethyl(2-phenylethylcarbamoyl)amino]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-ethyl-3-[ethyl(2-phenylethylcarbamoyl)amino]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide is CCc1nc2ccc(C(=O)NCCCn3ccnc3)cn2c1N(CC)C(=O)NCCc1ccccc1.
What is the InChIKey of 2-ethyl-3-[ethyl(2-phenylethylcarbamoyl)amino]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is XHYLIKZCQYHFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O2/c1-3-23-26(33(4-2)27(36)30-15-13-21-9-6-5-7-10-21)34-19-22(11-12-24(34)31-23)25(35)29-14-8-17-32-18-16-28-20-32/h5-7,9-12,16,18-20H,3-4,8,13-15,17H2,1-2H3,(H,29,35)(H,30,36).
What are the key properties of 2-ethyl-3-[ethyl(2-phenylethylcarbamoyl)amino]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide?
2-ethyl-3-[ethyl(2-phenylethylcarbamoyl)amino]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 487.61 g/mol, XLogP of 3.69, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[ethyl(2-phenylethylcarbamoyl)amino]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46943837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).