Chemical Components in the PDB

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6IP : Summary

Code

6IP

One-letter code

X

Molecule name

6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 6-[2-(1H-indol-6-yl)ethyl]pyridin-2-amine
OpenEye OEToolkits 1.5.0 6-[2-(1H-indol-6-yl)ethyl]pyridin-2-amine

Formula

C15 H15 N3

Formal charge

0

Molecular weight

237.3 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1c(N)cccc1CCc2ccc3c(c2)ncc3
SMILES CACTVS 3.341 Nc1cccc(CCc2ccc3cc[nH]c3c2)n1
SMILES OpenEye OEToolkits 1.5.0 c1cc(nc(c1)N)CCc2ccc3cc[nH]c3c2
Canonical SMILES CACTVS 3.341 Nc1cccc(CCc2ccc3cc[nH]c3c2)n1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(nc(c1)N)CCc2ccc3cc[nH]c3c2

IUPAC InChI

InChI=1S/C15H15N3/c16-15-3-1-2-13(18-15)7-5-11-4-6-12-8-9-17-14(12)10-11/h1-4,6,8-10,17H,5,7H2,(H2,16,18)

IUPAC InChI key

OSHSZKRWKLQZBV-UHFFFAOYSA-N
6IP

wwPDB Information

Atom count

33 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-01-12

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned