NU4
2-methyl-N-(pyridin-4-yl)furan-3-carboxamide
Created: | 2019-05-28 |
Last modified: | 2019-08-07 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 25 |
Chiral Atom Count | 0 |
Bond Count | 26 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
---|---|
Name | 2-methyl-N-(pyridin-4-yl)furan-3-carboxamide |
Systematic Name (OpenEye OEToolkits) | 2-methyl-~{N}-pyridin-4-yl-furan-3-carboxamide |
Formula | C11 H10 N2 O2 |
Molecular Weight | 202.209 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(c1ccncc1)C(c2ccoc2C)=O |
SMILES | CACTVS | 3.385 | Cc1occc1C(=O)Nc2ccncc2 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(cco1)C(=O)Nc2ccncc2 |
Canonical SMILES | CACTVS | 3.385 | Cc1occc1C(=O)Nc2ccncc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(cco1)C(=O)Nc2ccncc2 |
InChI | InChI | 1.03 | InChI=1S/C11H10N2O2/c1-8-10(4-7-15-8)11(14)13-9-2-5-12-6-3-9/h2-7H,1H3,(H,12,13,14) |
InChIKey | InChI | 1.03 | YQBDLYFUZJNLDH-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 5033510 |