Urea, 1,1'-(2,6-pyridylidenedimethylene)bis(3-methyl-
Basic information
- CAS
16578-11-3- Standard SMILES
CNC(=O)NCc1cccc(CNC(=O)NC)n1- InChIKey
BFWYHNCIUCKQDC-UHFFFAOYSA-N- Molecular formula
- C11H17N5O2
- Average molar mass
- 251.29 g/mol
- Monoisotopic mass
- 251.1382248
Names & identifiers
- Preferred name
- Urea, 1,1'-(2,6-pyridylidenedimethylene)bis(3-methyl-
- IUPAC
- 1-methyl-3-[[6-[(methylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea
Names & synonyms
Urea, 1,1'-(2,6-pyridylidenedimethylene)bis(3-methyl-16578-11-3BRN 04224172,6-Bis((1'-methylureylene-3')methyl)pyridine1,1'-(2,6-Pyridylidenedimethylene)bis(3-methylurea)DTXSID30168026N,N'-[Pyridine-2,6-diylbis(methylene)]bis(N'-methylurea)
Database identifiers
- CAS
16578-11-3- PubChem CID
- 204547
- DTXSID
DTXSID30168026- Nikkaji
- J93.331G
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
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Compound notes
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