ethyl 2-[[3-(propylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate

C21H22N4O4 — CID 109066155

IUPACethyl 2-[[3-(propylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
SMILESCCCNC(=O)c1nc(C(=O)Nc2ccccc2C(=O)OCC)c2ccccn12
InChIInChI=1S/C21H22N4O4/c1-3-12-22-20(27)18-24-17(16-11-7-8-13-25(16)18)19(26)23-15-10-6-5-9-14(15)21(28)29-4-2/h5-11,13H,3-4,12H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyCSLWCAVXBYORKA-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.90
Rot. Bonds7

About ethyl 2-[[3-(propylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate

ethyl 2-[[3-(propylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate (PubChem CID 109066155) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is ethyl 2-[[3-(propylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[3-(propylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
PubChem CID109066155
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Nameethyl 2-[[3-(propylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
SMILESCCCNC(=O)c1nc(C(=O)Nc2ccccc2C(=O)OCC)c2ccccn12
InChIInChI=1S/C21H22N4O4/c1-3-12-22-20(27)18-24-17(16-11-7-8-13-25(16)18)19(26)23-15-10-6-5-9-14(15)21(28)29-4-2/h5-11,13H,3-4,12H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyCSLWCAVXBYORKA-UHFFFAOYSA-N
XLogP2.90
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-(2-cyanophenyl)-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066156
1-N-(2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071416
methyl 2-[[3-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109067086
3-N-propyl-1-N-quinolin-8-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066145
1-N-(3,4-dimethylphenyl)-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066090
1-N-(2,4-dichlorophenyl)-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066150
1-N-(4-tert-butylphenyl)-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066104
3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067318
3-N-butyl-1-N-(2-propan-2-ylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067327
3-N-[(4-methylphenyl)methyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065877
3-N-(4-methoxyphenyl)-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065963
ethyl 4-[[3-(benzylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 165367492

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(propylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[3-(propylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate (CID 109066155) is ethyl 2-[[3-(propylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[3-(propylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[3-(propylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate is CCCNC(=O)c1nc(C(=O)Nc2ccccc2C(=O)OCC)c2ccccn12.
What is the InChIKey of ethyl 2-[[3-(propylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
The InChIKey is CSLWCAVXBYORKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-3-12-22-20(27)18-24-17(16-11-7-8-13-25(16)18)19(26)23-15-10-6-5-9-14(15)21(28)29-4-2/h5-11,13H,3-4,12H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of ethyl 2-[[3-(propylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
ethyl 2-[[3-(propylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate has a molecular weight of 394.43 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(propylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 109066155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).