3NX
Summary
| Name: | 3-hydroxy-17-(3-pyridyl)-androst-5,16-dien-6-amide |
| Formula: | C25 H32 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 392.534 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3alpha,8alpha)-3-hydroxy-17-(pyridin-3-yl)androsta-5,16-diene-6-carboxamide |
| OpenEye OEToolkits | 1.7.6 | (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-3-oxidanyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N)C4=C1CC(O)CCC1(C)C5CCC3(C(c2cccnc2)=CCC3C5C4)C |
| InChI | InChI | 1.03 | InChI=1S/C25H32N2O2/c1-24-10-8-21-17(20(24)6-5-19(24)15-4-3-11-27-14-15)13-18(23(26)29)22-12-16(28)7-9-25(21,22)2/h3-5,11,14,16-17,20-21,28H,6-10,12-13H2,1-2H3,(H2,26,29)/t16-,17-,20-,21-,24+,25+/m0/s1 |
| InChIKey | InChI | 1.03 | CPGOQTKJUPLDPD-ACAUBTHISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]12CC[C@H](O)CC1=C(C[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC=C4c5cccnc5)C(N)=O |
| SMILES | CACTVS | 3.385 | C[C]12CC[CH](O)CC1=C(C[CH]3[CH]2CC[C]4(C)[CH]3CC=C4c5cccnc5)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@]12CC[C@@H](CC1=C(C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)C(=O)N)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC12CCC(CC1=C(CC3C2CCC4(C3CC=C4c5cccnc5)C)C(=O)N)O |
