C72
Summary
| Name: | 2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carboxamide |
| Formula: | C19 H19 Cl N4 O S |
| Formal charge: | 0 |
| Formula weight: | 386.898 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carboxamide |
| OpenEye OEToolkits | 1.7.0 | 2-(4-chlorophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc4ccc(c2sc1c(cnc(c1c2)NC3CCCNC3)C(=O)N)cc4 |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)c1cnc(N[C@H]2CCCNC2)c3cc(sc13)c4ccc(Cl)cc4 |
| SMILES | CACTVS | 3.370 | NC(=O)c1cnc(N[CH]2CCCNC2)c3cc(sc13)c4ccc(Cl)cc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1c2cc3c(s2)c(cnc3N[C@H]4CCCNC4)C(=O)N)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1c2cc3c(s2)c(cnc3NC4CCCNC4)C(=O)N)Cl |
| InChI | InChI | 1.03 | InChI=1S/C19H19ClN4OS/c20-12-5-3-11(4-6-12)16-8-14-17(26-16)15(18(21)25)10-23-19(14)24-13-2-1-7-22-9-13/h3-6,8,10,13,22H,1-2,7,9H2,(H2,21,25)(H,23,24)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | QTBPGDBHORPJSA-ZDUSSCGKSA-N |
