butyl 2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate

C25H23N3O3 — CID 108788473

IUPACbutyl 2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate
SMILESCCCCOC(=O)c1ccccc1NC(=O)c1ccn2cc(-c3ccccc3)nc2c1
InChIInChI=1S/C25H23N3O3/c1-2-3-15-31-25(30)20-11-7-8-12-21(20)27-24(29)19-13-14-28-17-22(26-23(28)16-19)18-9-5-4-6-10-18/h4-14,16-17H,2-3,15H2,1H3,(H,27,29)
InChIKeyPQRQCYLLDMHHRX-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.21
Rot. Bonds7

About butyl 2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate

butyl 2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate (PubChem CID 108788473) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is butyl 2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate.

Molecular Properties

Compound Namebutyl 2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate
PubChem CID108788473
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Namebutyl 2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate
SMILESCCCCOC(=O)c1ccccc1NC(=O)c1ccn2cc(-c3ccccc3)nc2c1
InChIInChI=1S/C25H23N3O3/c1-2-3-15-31-25(30)20-11-7-8-12-21(20)27-24(29)19-13-14-28-17-22(26-23(28)16-19)18-9-5-4-6-10-18/h4-14,16-17H,2-3,15H2,1H3,(H,27,29)
InChIKeyPQRQCYLLDMHHRX-UHFFFAOYSA-N
XLogP5.21
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-[(3-methoxycarbonylbenzoyl)amino]benzoate
CID 108786656
methyl 3-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate
CID 108801384
N-(3-acetamidophenyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801394
2-phenyl-N-(3-propan-2-yloxypropyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 108788516
N-(5-acetamido-2-methylphenyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108788562
N-(2-acetamidoethyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801482
N-(2-methylpropyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108788420
N-(5-hydroxypentyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108788521
N-[(4-carbamoylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801462
4-butoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055735
2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
CID 108810602
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801399

Frequently Asked Questions

What is the IUPAC name of butyl 2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate?
The IUPAC name of butyl 2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate (CID 108788473) is butyl 2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate.
What is the SMILES notation for butyl 2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate?
The canonical SMILES for butyl 2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate is CCCCOC(=O)c1ccccc1NC(=O)c1ccn2cc(-c3ccccc3)nc2c1.
What is the InChIKey of butyl 2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate?
The InChIKey is PQRQCYLLDMHHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-2-3-15-31-25(30)20-11-7-8-12-21(20)27-24(29)19-13-14-28-17-22(26-23(28)16-19)18-9-5-4-6-10-18/h4-14,16-17H,2-3,15H2,1H3,(H,27,29).
What are the key properties of butyl 2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate?
butyl 2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate has a molecular weight of 413.48 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate is sourced from PubChem (CID 108788473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).