ethyl 2-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate

C18H17N3O3 — CID 110704737

IUPACethyl 2-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cccn2cc(C)nc12
InChIInChI=1S/C18H17N3O3/c1-3-24-18(23)13-7-4-5-9-15(13)20-17(22)14-8-6-10-21-11-12(2)19-16(14)21/h4-11H,3H2,1-2H3,(H,20,22)
InChIKeyAHXVXTOVWUFWIJ-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.07
Rot. Bonds4

About ethyl 2-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate

ethyl 2-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate (PubChem CID 110704737) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 2-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate
PubChem CID110704737
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Nameethyl 2-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cccn2cc(C)nc12
InChIInChI=1S/C18H17N3O3/c1-3-24-18(23)13-7-4-5-9-15(13)20-17(22)14-8-6-10-21-11-12(2)19-16(14)21/h4-11H,3H2,1-2H3,(H,20,22)
InChIKeyAHXVXTOVWUFWIJ-UHFFFAOYSA-N
XLogP3.07
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-2-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 110704676
2-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridine-8-carboxamide
CID 110704641
methyl 4-chloro-3-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate
CID 110704696
ethyl 2-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate
CID 110696258
ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide
CID 67768891
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
ethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate
CID 110693143
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 59280012
ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
CID 38074348
ethyl 8-carbamoylimidazo[1,2-a]pyridine-2-carboxylate
CID 143716769

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate (CID 110704737) is ethyl 2-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cccn2cc(C)nc12.
What is the InChIKey of ethyl 2-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate?
The InChIKey is AHXVXTOVWUFWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-3-24-18(23)13-7-4-5-9-15(13)20-17(22)14-8-6-10-21-11-12(2)19-16(14)21/h4-11H,3H2,1-2H3,(H,20,22).
What are the key properties of ethyl 2-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate?
ethyl 2-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate has a molecular weight of 323.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate is sourced from PubChem (CID 110704737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).