Chemical Components in the PDB

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N9F : Summary

Code

N9F

One-letter code

X

Molecule name

~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide

Formula

C10 H11 N3 O

Formal charge

0

Molecular weight

189.214 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(=O)NCc1ccc2[nH]ncc2c1
SMILES OpenEye OEToolkits 2.0.7 CC(=O)NCc1ccc2c(c1)cn[nH]2
Canonical SMILES CACTVS 3.385 CC(=O)NCc1ccc2[nH]ncc2c1
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)NCc1ccc2c(c1)cn[nH]2

IUPAC InChI

InChI=1S/C10H11N3O/c1-7(14)11-5-8-2-3-10-9(4-8)6-12-13-10/h2-4,6H,5H2,1H3,(H,11,14)(H,12,13)

IUPAC InChI key

HLISOCFZUBIOAM-UHFFFAOYSA-N
N9F

wwPDB Information

Atom count

25 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-08-12

Last modified at

2023-09-23

Status

Released

Obsoleted

Not Assigned