Basic information
- CAS
627470-10-4- Standard SMILES
CCOC(=O)c1[nH]cnc1C(=O)Nc1ccncc1- InChIKey
LWPBFRIHRVOUNK-UHFFFAOYSA-N- Molecular formula
- C12H12N4O3
- Average molar mass
- 260.25 g/mol
- Monoisotopic mass
- 260.09094026
Overview
4-[oxo-(pyridin-4-ylamino)methyl]-1H-imidazole-5-carboxylic acid ethyl ester is a heteroarene and an aromatic amide.
Names & identifiers
- Preferred name
- ethyl 4-(pyridin-4-ylcarbamoyl)-1H-imidazole-5-carboxylate
- IUPAC
- ethyl 4-(pyridin-4-ylcarbamoyl)-1H-imidazole-5-carboxylate
- English name
- 1H-Imidazole-4-carboxylicacid,5-[(4-pyridinylamino)carbonyl]-,ethylester
- Molecular formula
- C12H12N4O3
- Molecular weight
- 260.25
Names & synonyms
627470-10-4ethyl 4-(pyridin-4-ylcarbamoyl)-1H-imidazole-5-carboxylate4-[oxo-(pyridin-4-ylamino)methyl]-1H-imidazole-5-carboxylic acid ethyl esterSMR000074540MLS000099674Ethyl 5-(pyridin-4-ylcarbamoyl)-1H-imidazole-4-carboxylateETHYL 5-((PYRIDIN-4-YL)CARBAMOYL)-1H-IMIDAZOLE-4-CARBOXYLATEethyl 5-[(4-pyridinylamino)carbonyl]-1H-imidazole-4-carboxylateHMS2276H05cid_975176CHEMBL1363327BDBM37915
Show more names
1H-Imidazole-4-carboxylicacid,5-[(4-pyridinylamino)carbonyl]-,ethylester1H-Imidazole-5-carboxylic acid, 4-[(4-pyridinylamino)carbonyl]-, ethyl ester
DTXSID60359607CHEBI:112242SR-01000269215SR-01000269215-1Q27192344Ethyl 4-[(pyridin-4-yl)carbamoyl]-1H-imidazole-5-carboxylate4-(4-pyridylcarbamoyl)-1H-imidazole-5-carboxylic acid ethyl ester
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Boiling point
- 454.6 · 454.6±35.0 °C(Predicted)
- Density
- 1.388 · 1.388±0.06 g/cm3(Predicted)
- pka
- 14.74 · 14.74±0.70(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Additional notes
DefinitionChEBI: 4-[oxo-(pyridin-4-ylamino)methyl]-1H-imidazole-5-carboxylic acid ethyl ester is an aromatic amide and a heteroarene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…