| IPAD-DB ID | S00175 |
| Name | Pyridine-4-amine |
| Category | Synthetic compounds |
| 2D Structure |
|
| 3D Structure | |
| Molecular Formula | C 5 H 6 N 2 |
| Molecular Weight | 94.11 g/mol |
| IUPAC Name | pyridin-4-amine |
| InChI | InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H, (H2, 6, 7) |
| InChIKey | NUKYPUAOHBNCPY-UHFFFAOYSA-N |
| Canonical SMILES | C1=CN=CC=C1N |
| PubChem CID | 1727 |
| DrugBank Accession Number | - |
| CAS Registry Number | 504-24-5；29212-32-6；916979-36-7；286367-79-1 |
| Molecular Weight(Computed by SwissADME) | 94.11 |
| Hac(Computed by SwissADME) | 7 |
| Volume(Computed by ADMETlab 2.0) | 100.564 |
| Density(Computed by ADMETlab 2.0) | 0.935 |
| nRing(Computed by ADMETlab 2.0) | 1 |
| MaxRing(Computed by ADMETlab 2.0) | 6 |
| nHet(Computed by ADMETlab 2.0) | 2 |
| fChar(Computed by ADMETlab 2.0) | 0 |
| nRig(Computed by ADMETlab 2.0) | 7 |
| Flexibility(Computed by ADMETlab 2.0) | 0 |
| Stero Centers(Computed by ADMETlab 2.0) | 0 |
| LogS(Computed by ADMETlab 2.0) | -0.826 |
| LogD(Computed by ADMETlab 2.0) | -1.089 |
| logP(Computed by ADMETlab 2.0) | -2.397 |
| TPSA(Computed by SwissADME) | 38.91 |
| Hbond Acceptor(Computed by SwissADME) | 1 |
| Hbond Donor(Computed by SwissADME) | 1 |
| Rotatable Bonds(Computed by SwissADME) | 0 |
| GI Absorption(Computed by SwissADME) | High |
| BBB(blood-brain barrier) Permeant(Computed by SwissADME) | Yes |
| P-gp Substrate(Computed by SwissADME) | No |
| CYP1A2 Inhibitor(Computed by SwissADME) | No |
| CYP2C19 Inhibitor(Computed by SwissADME) | No |
| CYP2C9 Inhibitor(Computed by SwissADME) | No |
| CYP2D6 Inhibitor(Computed by SwissADME) | No |
| CYP3A4 Inhibitor(Computed by SwissADME) | No |
| log Kp(Skin Permeation)(Computed by SwissADME) | -6.65 |
| Lipinski(Computed by SwissADME) | 0 |
| Ghose(Computed by SwissADME) | 3 |
| Veber(Computed by SwissADME) | 0 |
| Egan(Computed by SwissADME) | 0 |
| Muegge(Computed by SwissADME) | 1 |
| Bioavailability Score(Computed by SwissADME) | 0.55 |