A11

ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE

Created:	2005-11-01
Last modified:	2011-06-04

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1 entries where A11 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	6

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Chemical Component Summary
Name	ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE
Systematic Name (OpenEye OEToolkits)	ethyl 4-[(4-chloropyridin-2-yl)amino]piperidine-1-carboxylate
Formula	C₁₃ H₁₈ Cl N₃ O₂
Molecular Weight	283.754
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OCC)N2CCC(Nc1nccc(Cl)c1)CC2
SMILES	CACTVS	3.341	CCOC(=O)N1CCC(CC1)Nc2cc(Cl)ccn2
SMILES	OpenEye OEToolkits	1.5.0	CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)Cl
Canonical SMILES	CACTVS	3.341	CCOC(=O)N1CCC(CC1)Nc2cc(Cl)ccn2
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)Cl
InChI	InChI	1.03	InChI=1S/C13H18ClN3O2/c1-2-19-13(18)17-7-4-11(5-8-17)16-12-9-10(14)3-6-15-12/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,15,16)
InChIKey	InChI	1.03	YQEYLCGMINXDBN-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07306
Name	ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE
Groups	experimental
Synonyms	ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Nitric oxide synthase, inducible	MACPWKFLFKTKFHQYAMNGEKDINNNVEKAPCATSSPVTQDDLQYHNLS...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682