67B

N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide

Created:	2016-02-10
Last modified:	2016-06-08

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3 entries where 67B is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	11

2D diagram of 67B

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Chemical Component Summary
Name	N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide
Systematic Name (OpenEye OEToolkits)	~{N},~{N}-dimethyl-3-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide
Formula	C₁₇ H₁₇ N₃ O₂
Molecular Weight	295.336
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3c(C(=O)N(C)C)cc(C1=CN(C)C(=O)c2c1ccn2)cc3
SMILES	CACTVS	3.385	CN(C)C(=O)c1cccc(c1)C2=CN(C)C(=O)c3[nH]ccc23
SMILES	OpenEye OEToolkits	2.0.4	CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C
Canonical SMILES	CACTVS	3.385	CN(C)C(=O)c1cccc(c1)C2=CN(C)C(=O)c3[nH]ccc23
Canonical SMILES	OpenEye OEToolkits	2.0.4	CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C
InChI	InChI	1.03	InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
InChIKey	InChI	1.03	YHMNROQTPUKNLA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	119081692

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.