A1AA3
Summary
| Name: | (2P,2'P)-2,2'-(1,3-phenylene)di(pyridin-4-amine) |
| Formula: | C16 H14 N4 |
| Formal charge: | 0 |
| Formula weight: | 262.309 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2P,2'P)-2,2'-(1,3-phenylene)di(pyridin-4-amine) |
| OpenEye OEToolkits | 2.0.7 | 2-[3-(4-azanylpyridin-2-yl)phenyl]pyridin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Nc1cc(ncc1)c1cc(ccc1)c1cc(N)ccn1 |
| InChI | InChI | 1.06 | InChI=1S/C16H14N4/c17-13-4-6-19-15(9-13)11-2-1-3-12(8-11)16-10-14(18)5-7-20-16/h1-10H,(H2,17,19)(H2,18,20) |
| InChIKey | InChI | 1.06 | XLXGLQRJMSGVPH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccnc(c1)c2cccc(c2)c3cc(N)ccn3 |
| SMILES | CACTVS | 3.385 | Nc1ccnc(c1)c2cccc(c2)c3cc(N)ccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)c2cc(ccn2)N)c3cc(ccn3)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)c2cc(ccn2)N)c3cc(ccn3)N |
