2HW
Summary
| Name: | 3-amino-N-{4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide |
| Formula: | C15 H19 N7 O |
| Formal charge: | 0 |
| Formula weight: | 313.358 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-amino-N-{4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide |
| OpenEye OEToolkits | 1.7.6 | 3-azanyl-N-[4-[(3S)-3-azanylpiperidin-1-yl]pyridin-3-yl]pyrazine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1nccnc1N)Nc2cnccc2N3CCCC(N)C3 |
| InChI | InChI | 1.03 | InChI=1S/C15H19N7O/c16-10-2-1-7-22(9-10)12-3-4-18-8-11(12)21-15(23)13-14(17)20-6-5-19-13/h3-6,8,10H,1-2,7,9,16H2,(H2,17,20)(H,21,23)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | PKUDLMDWOHMCHC-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1CCCN(C1)c2ccncc2NC(=O)c3nccnc3N |
| SMILES | CACTVS | 3.385 | N[CH]1CCCN(C1)c2ccncc2NC(=O)c3nccnc3N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cncc(c1N2CCC[C@@H](C2)N)NC(=O)c3c(nccn3)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cncc(c1N2CCCC(C2)N)NC(=O)c3c(nccn3)N |
