methyl 4-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate

C17H15N3O3 — CID 4099691

IUPACmethyl 4-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cn3ccc(C)cc3n2)cc1
InChIInChI=1S/C17H15N3O3/c1-11-7-8-20-10-14(19-15(20)9-11)16(21)18-13-5-3-12(4-6-13)17(22)23-2/h3-10H,1-2H3,(H,18,21)
InChIKeyOCQRAOGLOQOWRA-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.68
Rot. Bonds3

About methyl 4-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate

methyl 4-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate (PubChem CID 4099691) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is methyl 4-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate
PubChem CID4099691
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Namemethyl 4-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cn3ccc(C)cc3n2)cc1
InChIInChI=1S/C17H15N3O3/c1-11-7-8-20-10-14(19-15(20)9-11)16(21)18-13-5-3-12(4-6-13)17(22)23-2/h3-10H,1-2H3,(H,18,21)
InChIKeyOCQRAOGLOQOWRA-UHFFFAOYSA-N
XLogP2.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate (CID 4099691) is methyl 4-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2cn3ccc(C)cc3n2)cc1.
What is the InChIKey of methyl 4-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate?
The InChIKey is OCQRAOGLOQOWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-7-8-20-10-14(19-15(20)9-11)16(21)18-13-5-3-12(4-6-13)17(22)23-2/h3-10H,1-2H3,(H,18,21).
What are the key properties of methyl 4-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate?
methyl 4-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate has a molecular weight of 309.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 4099691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).