M4E

~{N}-methyl-2~{H}-indazole-3-carboxamide

Created:	2019-10-03
Last modified:	2020-03-04

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1 entries where M4E is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	10

2D diagram of M4E

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Chemical Component Summary
Name	~{N}-methyl-2~{H}-indazole-3-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-methyl-1~{H}-indazole-3-carboxamide
Formula	C₉ H₉ N₃ O
Molecular Weight	175.187
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNC(=O)c1n[nH]c2ccccc12
SMILES	OpenEye OEToolkits	2.0.7	CNC(=O)c1c2ccccc2[nH]n1
Canonical SMILES	CACTVS	3.385	CNC(=O)c1n[nH]c2ccccc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	CNC(=O)c1c2ccccc2[nH]n1
InChI	InChI	1.03	InChI=1S/C9H9N3O/c1-10-9(13)8-6-4-2-3-5-7(6)11-12-8/h2-5H,1H3,(H,10,13)(H,11,12)
InChIKey	InChI	1.03	WZVBKCJHULLMHK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	42477796

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.