Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

3UO

Summary
Name:2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide
Formula:C16 H16 N4 O3
Formal charge:0
Formula weight:312.323 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide
OpenEye OEToolkits1.7.62-(cyclopropylcarbonylamino)-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1nccc(c1)C(=O)Nc2c(OC)ccnc2)C3CC3
InChIInChI1.03InChI=1S/C16H16N4O3/c1-23-13-5-6-17-9-12(13)19-16(22)11-4-7-18-14(8-11)20-15(21)10-2-3-10/h4-10H,2-3H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyInChI1.03NZMAVPMPPORZNT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccncc1NC(=O)c2ccnc(NC(=O)C3CC3)c2
SMILESCACTVS3.385COc1ccncc1NC(=O)c2ccnc(NC(=O)C3CC3)c2
SMILES_CANONICALOpenEye OEToolkits1.7.6COc1ccncc1NC(=O)c2ccnc(c2)NC(=O)C3CC3
SMILESOpenEye OEToolkits1.7.6COc1ccncc1NC(=O)c2ccnc(c2)NC(=O)C3CC3

227344

數據於2024-11-13公開中

PDB statisticsPDBj update infoContact PDBjnumon