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

N3-(cyclohexylmethyl)-1-cyclopentyl-4-oxo-N5-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide

ChemBase ID: 420115
Molecular Formular: C22H33N3O3
Molecular Mass: 387.51572
Monoisotopic Mass: 387.25219193
SMILES and InChIs

SMILES:
c1(c(=O)c(cn(c1)C1CCCC1)C(=O)NCC1CCCCC1)C(=O)NC(C)C
Canonical SMILES:
CC(NC(=O)c1cn(cc(c1=O)C(=O)NCC1CCCCC1)C1CCCC1)C
InChI:
InChI=1S/C22H33N3O3/c1-15(2)24-22(28)19-14-25(17-10-6-7-11-17)13-18(20(19)26)21(27)23-12-16-8-4-3-5-9-16/h13-17H,3-12H2,1-2H3,(H,23,27)(H,24,28)
InChIKey:
ASHASKCNFABQOW-UHFFFAOYSA-N

Cite this record

CBID:420115 http://www.chembase.cn/molecule-420115.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N3-(cyclohexylmethyl)-1-cyclopentyl-4-oxo-N5-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide
IUPAC Traditional name
N3-(cyclohexylmethyl)-1-cyclopentyl-N5-isopropyl-4-oxopyridine-3,5-dicarboxamide
Synonyms
N-(cyclohexylmethyl)-1-cyclopentyl-N'-isopropyl-4-oxo-1,4-dihydro-3,5-pyridinedicarboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 25926765 external link Add to cart
Data Source Data ID Price
ChemBridge
25926765 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 15.043168  H Acceptors
H Donor LogD (pH = 5.5) 2.9071202 
LogD (pH = 7.4) 2.9071207  Log P 2.9071207 
Molar Refractivity 109.8231 cm3 Polarizability 42.212376 Å3
Polar Surface Area 78.51 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.29  LOG S -6.64 
Polar Surface Area 80.2 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