Nicotinamidine, N-(3,4,5-trimethoxyphenyl)-
Basic information
- CAS
23564-94-5- Standard SMILES
COc1cc(N=C(N)c2cccnc2)cc(OC)c1OC- InChIKey
TXHHBTIHUYSISJ-UHFFFAOYSA-N- Molecular formula
- C15H17N3O3
- Average molar mass
- 287.31 g/mol
- Monoisotopic mass
- 287.12699141
Names & identifiers
- Preferred name
- Nicotinamidine, N-(3,4,5-trimethoxyphenyl)-
- IUPAC
- N'-(3,4,5-trimethoxyphenyl)pyridine-3-carboximidamide
Names & synonyms
23564-94-5Nicotinamidine, N-(3,4,5-trimethoxyphenyl)-BRN 0426995N-(3,4,5-Trimethoxyphenyl)nicotinamidinen'-(3,4,5-trimethoxyphenyl)pyridine-3-carboximidamide3-Pyridinecarboximidamide, N-(3,4,5-trimethoxyphenyl)-DTXSID30178180
Database identifiers
- CAS
23564-94-5- PubChem CID
- 211769
- DTXSID
DTXSID30178180
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 337
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Compound notes
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