Basic information
- CAS
216079-42-4- Standard SMILES
O=C(Nc1ccccn1)c1ccc(C(=O)Nc2ccccn2)cc1- InChIKey
MGPUCIDTPHNZJM-UHFFFAOYSA-N- Molecular formula
- C18H14N4O2
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.1116757
Names & identifiers
- Preferred name
- 1-N,4-N-dipyridin-2-ylbenzene-1,4-dicarboxamide
- IUPAC
- 1-N,4-N-dipyridin-2-ylbenzene-1,4-dicarboxamide
Names & synonyms
1-N,4-N-dipyridin-2-ylbenzene-1,4-dicarboxamideMLS001181363SMR000502618Oprea1_048787Oprea1_399864CHEMBL239002cid_830992BDBM69655DTXSID901330154HMS2830P12STK062860N,N''-bis(2-pyridyl)terephthalamide
Show more names
AKOS001467755216079-42-4N,N'-di(pyridin-2-yl)benzene-1,4-dicarboxamideN1,N4-dipyridin-2-ylbenzene-1,4-dicarboxamiden,n'-bis(pyridin-2-yl)benzene-1,4-dicarboxamideN1,N4-bis(2-pyridinyl)benzene-1,4-dicarboxamideN~1~,N~4~-Di(pyridin-2-yl)benzene-1,4-dicarboxamideZ244495910
Database identifiers
- CAS
216079-42-4- PubChem CID
- 830992
- DTXSID
DTXSID901330154- ChEMBL
CHEMBL239002- Nikkaji
- J2.898.156B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 395
Experimental & physicochemical properties
Solubility0.5 [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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