11X

N-(pyridin-3-ylmethyl)aniline

Created:	2008-09-18
Last modified:	2021-03-01

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3 entries where 11X is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	12

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Chemical Component Summary
Name	N-(pyridin-3-ylmethyl)aniline
Synonyms	PHENYL-PYRIDIN-3-YLMETHYL-AMINE
Systematic Name (OpenEye OEToolkits)	N-(pyridin-3-ylmethyl)aniline
Formula	C₁₂ H₁₂ N₂
Molecular Weight	184.237
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1cccc(c1)CNc2ccccc2
SMILES	CACTVS	3.341	C(Nc1ccccc1)c2cccnc2
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)NCc2cccnc2
Canonical SMILES	CACTVS	3.341	C(Nc1ccccc1)c2cccnc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)NCc2cccnc2
InChI	InChI	1.03	InChI=1S/C12H12N2/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h1-9,14H,10H2
InChIKey	InChI	1.03	BJXLHKJBRORJJJ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB06851
Name	N-(pyridin-3-ylmethyl)aniline
Groups	experimental
Synonyms	N-(pyridin-3-ylmethyl)aniline

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Inorganic pyrophosphatase	MSFSNVPAGKDLPQDFNVIIEIPAQSEPVKYEADKALGLLVVDRFIGTGM...	unknown
Leukotriene A-4 hydrolase	MPEIVDTCSLASPASVCRTKHLHLRCSVDFTRRTLTGTAALTVQSQEDNL...	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