Chemical Components in the PDB

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Q5C : Summary

Code

Q5C

One-letter code

X

Molecule name

N-(4-methylpyridin-3-yl)-N~2~-[(pyridin-3-yl)acetyl]glycinamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(4-methylpyridin-3-yl)-N~2~-[(pyridin-3-yl)acetyl]glycinamide
OpenEye OEToolkits 2.0.7 ~{N}-[2-[(4-methylpyridin-3-yl)amino]-2-oxidanylidene-ethyl]-2-pyridin-3-yl-ethanamide

Formula

C15 H16 N4 O2

Formal charge

0

Molecular weight

284.313 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(Nc1cnccc1C)CNC(=O)Cc1cccnc1
SMILES CACTVS 3.385 Cc1ccncc1NC(=O)CNC(=O)Cc2cccnc2
SMILES OpenEye OEToolkits 2.0.7 Cc1ccncc1NC(=O)CNC(=O)Cc2cccnc2
Canonical SMILES CACTVS 3.385 Cc1ccncc1NC(=O)CNC(=O)Cc2cccnc2
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1ccncc1NC(=O)CNC(=O)Cc2cccnc2

IUPAC InChI

InChI=1S/C15H16N4O2/c1-11-4-6-17-9-13(11)19-15(21)10-18-14(20)7-12-3-2-5-16-8-12/h2-6,8-9H,7,10H2,1H3,(H,18,20)(H,19,21)

IUPAC InChI key

YFRDXIQIPSQACH-UHFFFAOYSA-N
Q5C

wwPDB Information

Atom count

37 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-08-18

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned