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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

ProgramVersionName
ACDLabs12.012-amino-N,N-dimethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
OpenEye OEToolkits2.0.72-azanyl-~{N},~{N}-dimethyl-5-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CN(C)C(=O)c1cc(ccc1N)c1cc2cc[NH]c2nc1
InChIInChI1.03InChI=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)
InChIKeyInChI1.03NYTIYMREXUPYRJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)C(=O)c1cc(ccc1N)c2cnc3[nH]ccc3c2
SMILESCACTVS3.385CN(C)C(=O)c1cc(ccc1N)c2cnc3[nH]ccc3c2
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)C(=O)c1cc(ccc1N)c2cc3cc[nH]c3nc2
SMILESOpenEye OEToolkits2.0.7CN(C)C(=O)c1cc(ccc1N)c2cc3cc[nH]c3nc2

221051

PDB entries from 2024-06-12

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