| IPAD-DB ID | S00183 |
| Name | N, N-dimethylpyridine-4-amine |
| Category | Synthetic compounds |
| 2D Structure |
|
| 3D Structure | |
| Molecular Formula | C 7 H 1 0 N 2 |
| Molecular Weight | 122.17 g/mol |
| IUPAC Name | N, N-dimethylpyridin-4-amine |
| InChI | InChI=1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H, 1-2H3 |
| InChIKey | VHYFNPMBLIVWCW-UHFFFAOYSA-N |
| Canonical SMILES | CN(C)C1=CC=NC=C1 |
| PubChem CID | 14284 |
| DrugBank Accession Number | - |
| CAS Registry Number | 1122-58-3 |
| Molecular Weight(Computed by SwissADME) | 122.17 |
| Hac(Computed by SwissADME) | 9 |
| Volume(Computed by ADMETlab 2.0) | 135.156 |
| Density(Computed by ADMETlab 2.0) | 0.903 |
| 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) | 6 |
| Flexibility(Computed by ADMETlab 2.0) | 0.167 |
| Stero Centers(Computed by ADMETlab 2.0) | 0 |
| LogS(Computed by ADMETlab 2.0) | 0.328 |
| LogD(Computed by ADMETlab 2.0) | 1.097 |
| logP(Computed by ADMETlab 2.0) | 1.105 |
| TPSA(Computed by SwissADME) | 16.13 |
| Hbond Acceptor(Computed by SwissADME) | 1 |
| Hbond Donor(Computed by SwissADME) | 0 |
| Rotatable Bonds(Computed by SwissADME) | 1 |
| 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) | -6.09 |
| 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 |