68B

N-(pyrimidin-5-yl)benzamide

Created:	2016-02-16
Last modified:	2016-03-23

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1 entries where 68B is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	12

2D diagram of 68B

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Chemical Component Summary
Name	N-(pyrimidin-5-yl)benzamide
Systematic Name (OpenEye OEToolkits)	~{N}-pyrimidin-5-ylbenzamide
Formula	C₁₁ H₉ N₃ O
Molecular Weight	199.209
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N(c1cncnc1)C(c2ccccc2)=O
SMILES	CACTVS	3.385	O=C(Nc1cncnc1)c2ccccc2
SMILES	OpenEye OEToolkits	2.0.4	c1ccc(cc1)C(=O)Nc2cncnc2
Canonical SMILES	CACTVS	3.385	O=C(Nc1cncnc1)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1ccc(cc1)C(=O)Nc2cncnc2
InChI	InChI	1.03	InChI=1S/C11H9N3O/c15-11(9-4-2-1-3-5-9)14-10-6-12-8-13-7-10/h1-8H,(H,14,15)
InChIKey	InChI	1.03	RKVZLNKZLQVUID-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	68971843
ChEMBL	CHEMBL3793205

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.