methyl 3-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]benzoate

C17H15N3O3 — CID 110650614

IUPACmethyl 3-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2nc(C)n3ccccc23)c1
InChIInChI=1S/C17H15N3O3/c1-11-18-15(14-8-3-4-9-20(11)14)16(21)19-13-7-5-6-12(10-13)17(22)23-2/h3-10H,1-2H3,(H,19,21)
InChIKeyAZEBIFIEGCRGFS-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.68
Rot. Bonds3

About methyl 3-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]benzoate

methyl 3-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]benzoate (PubChem CID 110650614) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is methyl 3-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]benzoate
PubChem CID110650614
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Namemethyl 3-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2nc(C)n3ccccc23)c1
InChIInChI=1S/C17H15N3O3/c1-11-18-15(14-8-3-4-9-20(11)14)16(21)19-13-7-5-6-12(10-13)17(22)23-2/h3-10H,1-2H3,(H,19,21)
InChIKeyAZEBIFIEGCRGFS-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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Related Compounds

methyl 3-[[3-(cyclopropylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109066768
N-(3,4-difluorophenyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110651441
methyl 3-[(4-methyl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 110861628
3-N-(3-methylphenyl)-1-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071926
methyl 3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]benzoate
CID 15944111
methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]benzoate
CID 53041004
3-N-(3-acetylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067486
3-methyl-N-(2-phenoxyphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110651101
1-N-(3,4-dimethylphenyl)-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071931
methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate
CID 110861657
methyl 3-[[2-(2,4-dimethylphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 30847810
methyl 3-[(4-methylfuran-2-carbonyl)amino]benzoate
CID 110861662

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]benzoate (CID 110650614) is methyl 3-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2nc(C)n3ccccc23)c1.
What is the InChIKey of methyl 3-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]benzoate?
The InChIKey is AZEBIFIEGCRGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-18-15(14-8-3-4-9-20(11)14)16(21)19-13-7-5-6-12(10-13)17(22)23-2/h3-10H,1-2H3,(H,19,21).
What are the key properties of methyl 3-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]benzoate?
methyl 3-[(3-methylimidazo[1,5-a]pyridine-1-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 3-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]benzoate is sourced from PubChem (CID 110650614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).