LDS

N-(4-ethoxyphenyl)pyrazine-2-carboxamide

Created:	2019-02-22
Last modified:	2019-05-08

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1 entries where LDS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	12

2D diagram of LDS

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Chemical Component Summary
Name	N-(4-ethoxyphenyl)pyrazine-2-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-(4-ethoxyphenyl)pyrazine-2-carboxamide
Formula	C₁₃ H₁₃ N₃ O₂
Molecular Weight	243.261
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2ccnc(C(Nc1ccc(cc1)OCC)=O)c2
SMILES	CACTVS	3.385	CCOc1ccc(NC(=O)c2cnccn2)cc1
SMILES	OpenEye OEToolkits	2.0.6	CCOc1ccc(cc1)NC(=O)c2cnccn2
Canonical SMILES	CACTVS	3.385	CCOc1ccc(NC(=O)c2cnccn2)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCOc1ccc(cc1)NC(=O)c2cnccn2
InChI	InChI	1.03	InChI=1S/C13H13N3O2/c1-2-18-11-5-3-10(4-6-11)16-13(17)12-9-14-7-8-15-12/h3-9H,2H2,1H3,(H,16,17)
InChIKey	InChI	1.03	QLRHMFFHGZFFID-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	862101
ChEMBL	CHEMBL1498470

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