HNM
Summary
Name: | 1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one |
Formula: | C10 H14 N2 O2 |
Formal charge: | 0 |
Formula weight: | 194.23 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one |
OpenEye OEToolkits | 1.7.0 | 1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1cnc(O)cc1)CCCNC |
SMILES_CANONICAL | CACTVS | 3.370 | CNCCCC(=O)c1ccc(O)nc1 |
SMILES | CACTVS | 3.370 | CNCCCC(=O)c1ccc(O)nc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CNCCCC(=O)c1ccc(nc1)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CNCCCC(=O)c1ccc(nc1)O |
InChI | InChI | 1.03 | InChI=1S/C10H14N2O2/c1-11-6-2-3-9(13)8-4-5-10(14)12-7-8/h4-5,7,11H,2-3,6H2,1H3,(H,12,14) |
InChIKey | InChI | 1.03 | UMLOUOBDBGOHHR-UHFFFAOYSA-N |