L9O
Summary
Name: | (1S)-N-(4-methylpyridin-3-yl)spiro[3.3]heptane-1-carboxamide |
Formula: | C14 H18 N2 O |
Formal charge: | 0 |
Formula weight: | 230.306 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (1S)-N-(4-methylpyridin-3-yl)spiro[3.3]heptane-1-carboxamide |
OpenEye OEToolkits | 2.0.7 | (3~{S})-~{N}-(4-methylpyridin-3-yl)spiro[3.3]heptane-3-carboxamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1cnccc1C)C1CCC21CCC2 |
InChI | InChI | 1.06 | InChI=1S/C14H18N2O/c1-10-4-8-15-9-12(10)16-13(17)11-3-7-14(11)5-2-6-14/h4,8-9,11H,2-3,5-7H2,1H3,(H,16,17)/t11-/m1/s1 |
InChIKey | InChI | 1.06 | XFQCOLJIUXXMKV-LLVKDONJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)[C@H]2CCC23CCC3 |
SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)[CH]2CCC23CCC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)[C@H]2CCC23CCC3 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C2CCC23CCC3 |