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Summary Geometry Related PDB entries

2YE

Summary

Name:	2-amino-N,N-dimethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
Formula:	C16 H16 N4 O
Formal charge:	0
Formula weight:	280.324 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-amino-N,N-dimethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
OpenEye OEToolkits	2.0.7	2-azanyl-~{N},~{N}-dimethyl-5-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CN(C)C(=O)c1cc(ccc1N)c1cc2cc[NH]c2nc1
InChI	InChI	1.03	InChI=1S/C16H16N4O/c1-20(2)16(21)13-8-10(3-4-14(13)17)12-7-11-5-6-18-15(11)19-9-12/h3-9H,17H2,1-2H3,(H,18,19)
InChIKey	InChI	1.03	NYTIYMREXUPYRJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C)C(=O)c1cc(ccc1N)c2cnc3[nH]ccc3c2
SMILES	CACTVS	3.385	CN(C)C(=O)c1cc(ccc1N)c2cnc3[nH]ccc3c2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN(C)C(=O)c1cc(ccc1N)c2cc3cc[nH]c3nc2
SMILES	OpenEye OEToolkits	2.0.7	CN(C)C(=O)c1cc(ccc1N)c2cc3cc[nH]c3nc2

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