Home > Compound List > Compound details
 molecular structure
click picture or here to close

N-(propan-2-yl)-1-{2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]ethyl}-1H-1,2,3-triazole-4-carboxamide

ChemBase ID: 321469
Molecular Formular: C19H28N6O
Molecular Mass: 356.46522
Monoisotopic Mass: 356.23245955
SMILES and InChIs

SMILES:
c1(nnn(c1)CCC1N(Cc2ncccc2)CCCC1)C(=O)NC(C)C
Canonical SMILES:
CC(NC(=O)c1nnn(c1)CCC1CCCCN1Cc1ccccn1)C
InChI:
InChI=1S/C19H28N6O/c1-15(2)21-19(26)18-14-25(23-22-18)12-9-17-8-4-6-11-24(17)13-16-7-3-5-10-20-16/h3,5,7,10,14-15,17H,4,6,8-9,11-13H2,1-2H3,(H,21,26)
InChIKey:
PIHIOLUDLLGWAM-UHFFFAOYSA-N

Cite this record

CBID:321469 http://www.chembase.cn/molecule-321469.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(propan-2-yl)-1-{2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]ethyl}-1H-1,2,3-triazole-4-carboxamide
IUPAC Traditional name
N-isopropyl-1-{2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]ethyl}-1,2,3-triazole-4-carboxamide
Synonyms
N-isopropyl-1-{2-[1-(2-pyridinylmethyl)-2-piperidinyl]ethyl}-1H-1,2,3-triazole-4-carboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11155733 external link Add to cart
Data Source Data ID Price
ChemBridge
11155733 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 11.850277  H Acceptors
H Donor LogD (pH = 5.5) -0.5501229 
LogD (pH = 7.4) 1.2013133  Log P 1.8307897 
Molar Refractivity 112.7191 cm3 Polarizability 38.774696 Å3
Polar Surface Area 75.94 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.64  LOG S -3.52 
Polar Surface Area 75.94 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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