General Information of the Compound
| Compound ID |
CP0547765
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
pyridine-3,4-diamine
Show/Hide
|
||||||||||||||||||
| Synonyms |
3,4-DAP
3,4-DIAMINOPYRIDINE
3,4-Pyridinediamine
4,5-Diaminopyridine
Amifampridine
BRN 0110232
Diamino-3,4 pyridine
EINECS 200-220-9
Firdapse
NCGC00167560-01
NSC 521760
OYTKINVCDFNREN-UHFFFAOYSA-N
RU4S6E2G0J
SC10
SMR000752913
UNII-RU4S6E2G0J
WT559
Zenas
amifampridin
pyridine-3,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C5H7N3
|
||||||||||||||||||
| Molecular Weight |
109.132
|
||||||||||||||||||
| Canonical SMILES |
Nc1ccncc1N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OYTKINVCDFNREN-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
54-96-6
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
| DrugBank ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT06796, POU domain, class 2, transcription factor 1
Clinical Information about the Compound