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4FX : Summary

Code

4FX

One-letter code

X

Molecule name

6-[(2-methoxybenzyl)amino]pyridine-3-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 6-[(2-methoxybenzyl)amino]pyridine-3-carboxamide
OpenEye OEToolkits 1.9.2 6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide

Formula

C14 H15 N3 O2

Formal charge

0

Molecular weight

257.288 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)OC
SMILES CACTVS 3.385 COc1ccccc1CNc2ccc(cn2)C(N)=O
SMILES OpenEye OEToolkits 1.9.2 COc1ccccc1CNc2ccc(cn2)C(=O)N
Canonical SMILES CACTVS 3.385 COc1ccccc1CNc2ccc(cn2)C(N)=O
Canonical SMILES OpenEye OEToolkits 1.9.2 COc1ccccc1CNc2ccc(cn2)C(=O)N

IUPAC InChI

InChI=1S/C14H15N3O2/c1-19-12-5-3-2-4-10(12)8-16-13-7-6-11(9-17-13)14(15)18/h2-7,9H,8H2,1H3,(H2,15,18)(H,16,17)

IUPAC InChI key

OZFDPNFXJQTLGG-UHFFFAOYSA-N
4FX

wwPDB Information

Atom count

34 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-03-17

Last modified at

2016-03-11

Status

Released

Obsoleted

Not Assigned