Basic information
- CAS
76947-68-7- Standard SMILES
COc1ccccc1NC(=O)Nc1ccncc1- InChIKey
KMVUSIMRULJODH-UHFFFAOYSA-N- Molecular formula
- C13H13N3O2
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.10077667
Names & identifiers
- Preferred name
- 1-(2-Methoxyphenyl)-3-pyridin-4-ylurea
- IUPAC
- 1-(2-methoxyphenyl)-3-pyridin-4-ylurea
Names & synonyms
1-(2-methoxyphenyl)-3-pyridin-4-ylurea76947-68-7DTXSID00350370RefChem:223659DTXCID10301439Oprea1_057586MLS000771721CHEMBL169143SCHEMBL27588536HMS2665N24STK129882AKOS001052622
Show more names
SMR000376401N-(2-Methoxyphenyl)-N'-(pyridin-4-yl)ureaZ55292397
Database identifiers
- CAS
76947-68-7- PubChem CID
- 677339
- DTXSID
DTXSID00350370- ChEMBL
CHEMBL169143- Nikkaji
- J273.796E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 267
Experimental & physicochemical properties
Solubility16.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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