A1I79

~{N}-(2-azanyl-2-oxidanylidene-ethyl)-5-chloranyl-2-(cyclopropylamino)pyridine-4-carboxamide

Created:	2025-03-26
Last modified:	2026-02-11

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1 entries where A1I79 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	6

2D diagram of A1I79

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Chemical Component Summary
Name	~{N}-(2-azanyl-2-oxidanylidene-ethyl)-5-chloranyl-2-(cyclopropylamino)pyridine-4-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-(2-azanyl-2-oxidanylidene-ethyl)-5-chloranyl-2-(cyclopropylamino)pyridine-4-carboxamide
Formula	C₁₁ H₁₃ Cl N₄ O₂
Molecular Weight	268.7
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=O)CNC(=O)c1cc(NC2CC2)ncc1Cl
SMILES	OpenEye OEToolkits	2.0.7	c1c(c(cnc1NC2CC2)Cl)C(=O)NCC(=O)N
Canonical SMILES	CACTVS	3.385	NC(=O)CNC(=O)c1cc(NC2CC2)ncc1Cl
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1c(c(cnc1NC2CC2)Cl)C(=O)NCC(=O)N
InChI	InChI	1.06	InChI=1S/C11H13ClN4O2/c12-8-4-14-10(16-6-1-2-6)3-7(8)11(18)15-5-9(13)17/h3-4,6H,1-2,5H2,(H2,13,17)(H,14,16)(H,15,18)
InChIKey	InChI	1.06	LWHCPXNYAQGAQP-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.