PDB Chemical Component AYM

Ideal Model

Chemical Description

Name 3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE
Formula C19 H20 N4 O
Formal charge 0
Molecular weight 320.388 g/mol
Component type NON-POLYMER

Chemical features

Atom count 44
Chiral atom count 0
Bond count 46
Aromatic bond count 16

Chemical Identifiers

Systematic name (ACDLabs) (2E)-3-(6-aminopyridin-3-yl)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]prop-2-enamide
Systematic name (OpenEye OEToolkits) (E)-3-(6-aminopyridin-3-yl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide

Chemical Descriptors

Stereo SMILES (CACTVS) CN(Cc1cc2ccccc2n1C)C(=O)/C=C/c3ccc(N)nc3
SMILES (CACTVS) CN(Cc1cc2ccccc2n1C)C(=O)C=Cc3ccc(N)nc3
Stereo SMILES (OpenEye) Cn1c2ccccc2cc1CN(C)C(=O)\C=C\c3ccc(nc3)N
InChI descriptor InChI=1/C19H20N4O/c1-22(19(24)10-8-14-7-9-18(20)21-12-14)13-16-11-15-5-3-4-6-17(15)23(16)2/h3-12H,13H2,1-2H3,(H2,20,21)/b10-8+/f/h20H2
InChIKey descriptor AKFPMLBVLWZSQX-DBHJHQEKDN

Status Information

Last modified 2008-10-14
Created 2002-06-25
Release status REL
Model PDB code 1LXC
Processing site RCSB