Mls000758532
Basic information
- CAS
55119-42-1- Standard SMILES
O=C(Nc1ccc(NC(=O)c2ccncc2)cc1)c1ccncc1- InChIKey
VFVBSQVONILYDC-UHFFFAOYSA-N- Molecular formula
- C18H14N4O2
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.1116757
Names & identifiers
- Preferred name
- Mls000758532
- IUPAC
- N-[4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
- English name
- N,N'-(1,4-phenylene)diisonicotinamide
- Molecular formula
- C18H14N4O2
- Molecular weight
- 318.33
Names & synonyms
55119-42-1MLS000758532DTXSID00319023RefChem:357126DTXCID60270146N,N'-(1,4-Phenylene)diisonicotinamideN-[4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamideMFCD00726741NSC338578N,N'-Bis-(4-pyridylformamide)-1,4-benzenediamineN,N inverted exclamation marka-Bis-(4-pyridylformamide)-1,4-benzenediamineHMS2884B10
Show more names
1,4-bis(4-pyridinecarbonylamino)benzene4-Pyridinecarboxamide, N,N'-1,4-phenylenebis-N,N′-Bis-(4-pyridylformamide)-1,4-benzenediamine
N,N'-1,4-PhenylenediisonicotinamideOprea1_438601orb32162241,4-bis(isonicotinamido)benzeneCHEMBL1375606SCHEMBL19242053AKOS003890054NSC-338578
Database identifiers
- CAS
55119-42-1- PubChem CID
- 334189
- DTXSID
DTXSID00319023- ChEMBL
CHEMBL1375606- Nikkaji
- J2.287.315F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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