YC8

3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid

Created:2015-11-27
Last modified:  2016-01-27

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count0
Bond Count38
Aromatic Bond Count12
2D diagram of YC8

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid
FormulaC16 H16 N2 O3
Molecular Weight284.31
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385OC(=O)c1ccncc1NC(=O)CCCc2ccccc2
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)CCCC(=O)Nc2cnccc2C(=O)O
Canonical SMILESCACTVS3.385 OC(=O)c1ccncc1NC(=O)CCCc2ccccc2
Canonical SMILESOpenEye OEToolkits1.7.6 c1ccc(cc1)CCCC(=O)Nc2cnccc2C(=O)O
InChIInChI1.03 InChI=1S/C16H16N2O3/c19-15(8-4-7-12-5-2-1-3-6-12)18-14-11-17-10-9-13(14)16(20)21/h1-3,5-6,9-11H,4,7-8H2,(H,18,19)(H,20,21)
InChIKeyInChI1.03 FLWYUGQMDDTDDS-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3774845
PubChem 64394751
ChEMBL CHEMBL3774845