methyl 2-[[3-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate

C20H18N4O4 — CID 109067086

IUPACmethyl 2-[[3-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
SMILESC=CCNC(=O)c1nc(C(=O)Nc2ccccc2C(=O)OC)c2ccccn12
InChIInChI=1S/C20H18N4O4/c1-3-11-21-19(26)17-23-16(15-10-6-7-12-24(15)17)18(25)22-14-9-5-4-8-13(14)20(27)28-2/h3-10,12H,1,11H2,2H3,(H,21,26)(H,22,25)
InChIKeyUFYWTUSQRRAJOW-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.29
Rot. Bonds6

About methyl 2-[[3-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate

methyl 2-[[3-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate (PubChem CID 109067086) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is methyl 2-[[3-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
PubChem CID109067086
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Namemethyl 2-[[3-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
SMILESC=CCNC(=O)c1nc(C(=O)Nc2ccccc2C(=O)OC)c2ccccn12
InChIInChI=1S/C20H18N4O4/c1-3-11-21-19(26)17-23-16(15-10-6-7-12-24(15)17)18(25)22-14-9-5-4-8-13(14)20(27)28-2/h3-10,12H,1,11H2,2H3,(H,21,26)(H,22,25)
InChIKeyUFYWTUSQRRAJOW-UHFFFAOYSA-N
XLogP2.29
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-methylphenyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067031
methyl 4-[[1-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-3-carbonyl]amino]benzoate
CID 109066929
3-N-prop-2-enyl-1-N-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067079
1-N-(4-methylphenyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067033
1-N-(3-methoxypropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066968
3-N-(2-chlorophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066897
ethyl 2-[[3-(propylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109066155
methyl 2-[[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109068137
3-N-[2-(4-methoxyphenyl)ethyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066843
1-N-(3,4-difluorophenyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067115
3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066823
1-N-prop-2-enyl-3-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066836

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate (CID 109067086) is methyl 2-[[3-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate is C=CCNC(=O)c1nc(C(=O)Nc2ccccc2C(=O)OC)c2ccccn12.
What is the InChIKey of methyl 2-[[3-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
The InChIKey is UFYWTUSQRRAJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-3-11-21-19(26)17-23-16(15-10-6-7-12-24(15)17)18(25)22-14-9-5-4-8-13(14)20(27)28-2/h3-10,12H,1,11H2,2H3,(H,21,26)(H,22,25).
What are the key properties of methyl 2-[[3-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
methyl 2-[[3-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate has a molecular weight of 378.39 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 109067086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).