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SummaryGeometryRelated PDB entries

A1BG8

Summary
Name:N-(1-methyl-1H-pyrazol-4-yl)-2-(2-methylpyrimidin-5-yl)benzamide
Formula:C16 H15 N5 O
Formal charge:0
Formula weight:293.323 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-(1-methyl-1H-pyrazol-4-yl)-2-(2-methylpyrimidin-5-yl)benzamide
OpenEye OEToolkits3.1.0.0~{N}-(1-methylpyrazol-4-yl)-2-(2-methylpyrimidin-5-yl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Nc1cn(C)nc1)c1ccccc1c1cnc(C)nc1
InChIInChI1.06InChI=1S/C16H15N5O/c1-11-17-7-12(8-18-11)14-5-3-4-6-15(14)16(22)20-13-9-19-21(2)10-13/h3-10H,1-2H3,(H,20,22)
InChIKeyInChI1.06WYOZJAIIAKMJNP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1cc(NC(=O)c2ccccc2c3cnc(C)nc3)cn1
SMILESCACTVS3.385Cn1cc(NC(=O)c2ccccc2c3cnc(C)nc3)cn1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1ncc(cn1)c2ccccc2C(=O)Nc3cnn(c3)C
SMILESOpenEye OEToolkits3.1.0.0Cc1ncc(cn1)c2ccccc2C(=O)Nc3cnn(c3)C

248335

PDB entries from 2026-01-28

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