Chemical Components in the PDB

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SB9 : Summary

Code

SB9

One-letter code

X

Molecule name

HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-hydroxy-N-[3-(6-methylpyridin-2-yl)propyl]formamide
OpenEye OEToolkits 1.5.0 N-hydroxy-N-[3-(6-methylpyridin-2-yl)propyl]methanamide

Formula

C10 H14 N2 O2

Formal charge

0

Molecular weight

194.23 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=CN(O)CCCc1nc(ccc1)C
SMILES CACTVS 3.341 Cc1cccc(CCCN(O)C=O)n1
SMILES OpenEye OEToolkits 1.5.0 Cc1cccc(n1)CCCN(C=O)O
Canonical SMILES CACTVS 3.341 Cc1cccc(CCCN(O)C=O)n1
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1cccc(n1)CCCN(C=O)O

IUPAC InChI

InChI=1S/C10H14N2O2/c1-9-4-2-5-10(11-9)6-3-7-12(14)8-13/h2,4-5,8,14H,3,6-7H2,1H3

IUPAC InChI key

FJYUGRZKJXCRFF-UHFFFAOYSA-N
SB9

wwPDB Information

Atom count

28 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-08-16

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned