A1I84

5-chloranyl-2-(cyclopropylamino)-~{N}-(2-hydroxyethyl)pyridine-4-carboxamide

Created:	2025-03-27
Last modified:	2026-02-11

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1 entries where A1I84 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 A1I84

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Chemical Component Summary
Name	5-chloranyl-2-(cyclopropylamino)-~{N}-(2-hydroxyethyl)pyridine-4-carboxamide
Systematic Name (OpenEye OEToolkits)	5-chloranyl-2-(cyclopropylamino)-~{N}-(2-hydroxyethyl)pyridine-4-carboxamide
Formula	C₁₁ H₁₄ Cl N₃ O₂
Molecular Weight	255.701
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OCCNC(=O)c1cc(NC2CC2)ncc1Cl
SMILES	OpenEye OEToolkits	2.0.7	c1c(c(cnc1NC2CC2)Cl)C(=O)NCCO
Canonical SMILES	CACTVS	3.385	OCCNC(=O)c1cc(NC2CC2)ncc1Cl
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1c(c(cnc1NC2CC2)Cl)C(=O)NCCO
InChI	InChI	1.06	InChI=1S/C11H14ClN3O2/c12-9-6-14-10(15-7-1-2-7)5-8(9)11(17)13-3-4-16/h5-7,16H,1-4H2,(H,13,17)(H,14,15)
InChIKey	InChI	1.06	QUXONIHSWZGNKT-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.