Chemical Components in the PDB

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KXF : Summary

Code

KXF

One-letter code

X

Molecule name

2-(3-hydroxyphenyl)-N-(4-methylpyridin-3-yl)acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 2-(3-hydroxyphenyl)-N-(4-methylpyridin-3-yl)acetamide
OpenEye OEToolkits 2.0.7 2-(3-hydroxyphenyl)-~{N}-(4-methylpyridin-3-yl)ethanamide

Formula

C14 H14 N2 O2

Formal charge

0

Molecular weight

242.273 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(Nc1cnccc1C)Cc1cccc(O)c1
SMILES CACTVS 3.385 Cc1ccncc1NC(=O)Cc2cccc(O)c2
SMILES OpenEye OEToolkits 2.0.7 Cc1ccncc1NC(=O)Cc2cccc(c2)O
Canonical SMILES CACTVS 3.385 Cc1ccncc1NC(=O)Cc2cccc(O)c2
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1ccncc1NC(=O)Cc2cccc(c2)O

IUPAC InChI

InChI=1S/C14H14N2O2/c1-10-5-6-15-9-13(10)16-14(18)8-11-3-2-4-12(17)7-11/h2-7,9,17H,8H2,1H3,(H,16,18)

IUPAC InChI key

JOMCPDPKDFHNEK-UHFFFAOYSA-N
KXF

wwPDB Information

Atom count

32 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-08-14

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned