SJR

4-methoxy-N-(pyridin-2-yl)benzamide

Created:	2015-01-20
Last modified:	2015-08-26

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1 entries where SJR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	12

2D diagram of SJR

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Chemical Component Summary
Name	4-methoxy-N-(pyridin-2-yl)benzamide
Systematic Name (OpenEye OEToolkits)	4-methoxy-N-pyridin-2-yl-benzamide
Formula	C₁₃ H₁₂ N₂ O₂
Molecular Weight	228.247
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1ncccc1)c2ccc(OC)cc2
SMILES	CACTVS	3.385	COc1ccc(cc1)C(=O)Nc2ccccn2
SMILES	OpenEye OEToolkits	1.7.6	COc1ccc(cc1)C(=O)Nc2ccccn2
Canonical SMILES	CACTVS	3.385	COc1ccc(cc1)C(=O)Nc2ccccn2
Canonical SMILES	OpenEye OEToolkits	1.7.6	COc1ccc(cc1)C(=O)Nc2ccccn2
InChI	InChI	1.03	InChI=1S/C13H12N2O2/c1-17-11-7-5-10(6-8-11)13(16)15-12-4-2-3-9-14-12/h2-9H,1H3,(H,14,15,16)
InChIKey	InChI	1.03	YFXWAMDABVLKSA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	821599
ChEMBL	CHEMBL1571193

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