ChemFOnt: Showing chemical card for 4-N-(N-Acetyl-D-glucosaminyl)-protein (CFc000042817)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:45:32 UTC

Chemfont ID

CFc000042817

Molecule Identification

Common Name

4-N-(N-Acetyl-D-glucosaminyl)-protein

Definition

4-N-(N-Acetyl-D-glucosaminyl)-protein is classified as an aminopyridine or an Aminopyridine derivative. Aminopyridines are organic heterocyclic compounds containing an amino group attached to a pyridine ring. 4-N-(N-Acetyl-D-glucosaminyl)-protein is considered to be soluble (in water) and basic

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅H₅ClN₂

Average Molecular Weight

128.56

Monoisotopic Molecular Weight

128.0141259

IUPAC Name

6-chloropyridin-3-amine

Traditional Name

6-chloropyridin-3-amine

CAS Registry Number

Not Available

SMILES

NC1=CN=C(Cl)C=C1

InChI Identifier

InChI=1S/C5H5ClN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2

InChI Key

QAJYCQZQLVENRZ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyridines and derivatives

Sub Class

Aminopyridines and derivatives

Direct Parent

Aminopyridines and derivatives

Alternative Parents

Substituents

2-halopyridine
Aminopyridine
Aryl halide
Aryl chloride
Heteroaromatic compound
Azacycle
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Primary amine
Organonitrogen compound
Organochloride
Organohalogen compound
Amine
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Exogenous (HMDB: HMDB0062405)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	118 g/L	ALOGPS
logP	1.16	ALOGPS
logP	0.75	ChemAxon
logS	-0.04	ALOGPS
pKa (Strongest Basic)	1.48	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	38.91 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	34.47 m³·mol⁻¹	ChemAxon
Polarizability	11.9 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0062205

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

79305

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for 4-N-(N-Acetyl-D-glucosaminyl)-protein (CFc000042817)

MOL for CFc000042817 (4-N-(N-Acetyl-D-glucosaminyl)-protein)

3D MOL for CFc000042817 (4-N-(N-Acetyl-D-glucosaminyl)-protein)

3D SDF for CFc000042817 (4-N-(N-Acetyl-D-glucosaminyl)-protein)

3D-SDF for CFc000042817 (4-N-(N-Acetyl-D-glucosaminyl)-protein)

PDB for CFc000042817 (4-N-(N-Acetyl-D-glucosaminyl)-protein)

3D PDB for CFc000042817 (4-N-(N-Acetyl-D-glucosaminyl)-protein)

SMILES for CFc000042817 (4-N-(N-Acetyl-D-glucosaminyl)-protein)

INCHI for CFc000042817 (4-N-(N-Acetyl-D-glucosaminyl)-protein)

Structure for CFc000042817 (4-N-(N-Acetyl-D-glucosaminyl)-protein)

3D Structure for CFc000042817 (4-N-(N-Acetyl-D-glucosaminyl)-protein)