A1H4K

7-azanyl-N-pyridin-3-yl-3H-pyrrolo[3,2-b]pyridine-2-carboxamide

Created:2024-02-15
Last modified:  2024-03-20

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count32
Aromatic Bond Count12
2D diagram of A1H4K

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Chemical Component Summary

Name7-azanyl-N-pyridin-3-yl-3H-pyrrolo[3,2-b]pyridine-2-carboxamide
Systematic Name (OpenEye OEToolkits)7-azanyl-~{N}-pyridin-3-yl-3~{H}-pyrrolo[3,2-b]pyridine-2-carboxamide
FormulaC13 H11 N5 O
Molecular Weight253.259
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Nc1ccnc2CC(=Nc12)C(=O)Nc3cccnc3
SMILESOpenEye OEToolkits2.0.7c1cc(cnc1)NC(=O)C2=Nc3c(ccnc3C2)N
Canonical SMILESCACTVS3.385 Nc1ccnc2CC(=Nc12)C(=O)Nc3cccnc3
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(cnc1)NC(=O)C2=Nc3c(ccnc3C2)N
InChIInChI1.06 InChI=1S/C13H11N5O/c14-9-3-5-16-10-6-11(18-12(9)10)13(19)17-8-2-1-4-15-7-8/h1-5,7H,6H2,(H2,14,16)(H,17,19)
InChIKeyInChI1.06 WZTIBBQJLYUYSO-UHFFFAOYSA-N