Home > Compound List > Compound details
87394-64-7 molecular structure
click picture or here to close

2-(piperazin-1-yl)pyridine-3-carboxamide

ChemBase ID: 265571
Molecular Formular: C10H14N4O
Molecular Mass: 206.24436
Monoisotopic Mass: 206.11676109
SMILES and InChIs

SMILES:
c1(c(C(=O)N)cccn1)N1CCNCC1
Canonical SMILES:
NC(=O)c1cccnc1N1CCNCC1
InChI:
InChI=1S/C10H14N4O/c11-9(15)8-2-1-3-13-10(8)14-6-4-12-5-7-14/h1-3,12H,4-7H2,(H2,11,15)
InChIKey:
RYNARQDUUQTTFJ-UHFFFAOYSA-N

Cite this record

CBID:265571 http://www.chembase.cn/molecule-265571.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(piperazin-1-yl)pyridine-3-carboxamide
IUPAC Traditional name
2-(piperazin-1-yl)pyridine-3-carboxamide
Synonyms
2-(piperazin-1-yl)pyridine-3-carboxamide
2-(1-piperazinyl)nicotinamide
2-(piperazin-1-yl)nicotinamide
2-(1-Piperazino)nicotinamide
2-(1-Piperazinyl)pyridine-3-carboxamide
2-(1-Piperazinyl)nicotinamide
2-(1-哌嗪基)烟碱
CAS Number
87394-64-7
MDL Number
MFCD08061093
PubChem SID
164321481
PubChem CID
16785637

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.743005  H Acceptors
H Donor LogD (pH = 5.5) -3.1658099 
LogD (pH = 7.4) -1.5727282  Log P -0.2272133 
Molar Refractivity 58.477 cm3 Polarizability 21.580397 Å3
Polar Surface Area 71.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
145 - 147°C expand Show data source
Hydrophobicity(logP)
-0.795 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle