M4T

~{N}-pyridin-3-ylethanamide

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

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1 entries where M4T is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	6

2D diagram of M4T

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Chemical Component Summary
Name	~{N}-pyridin-3-ylethanamide
Systematic Name (OpenEye OEToolkits)	~{N}-pyridin-3-ylethanamide
Formula	C₇ H₈ N₂ O
Molecular Weight	136.151
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)Nc1cccnc1
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)Nc1cccnc1
Canonical SMILES	CACTVS	3.385	CC(=O)Nc1cccnc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)Nc1cccnc1
InChI	InChI	1.03	InChI=1S/C7H8N2O/c1-6(10)9-7-3-2-4-8-5-7/h2-5H,1H3,(H,9,10)
InChIKey	InChI	1.03	JVYIBLHBCPSTKF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	79978
ChEMBL	CHEMBL12056
CCDC/CSD	PAPSEG, TOJBAW, NEWRIR
COD	4501389

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.