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N-ethyl-6-oxo-1-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

ChemBase ID: 323847
Molecular Formular: C20H24N4O2
Molecular Mass: 352.43016
Monoisotopic Mass: 352.18992603
SMILES and InChIs

SMILES:
N1(C(=O)CCC(C(=O)N(Cc2ccncc2)CC)C1)Cc1ncccc1
Canonical SMILES:
CCN(C(=O)C1CCC(=O)N(C1)Cc1ccccn1)Cc1ccncc1
InChI:
InChI=1S/C20H24N4O2/c1-2-23(13-16-8-11-21-12-9-16)20(26)17-6-7-19(25)24(14-17)15-18-5-3-4-10-22-18/h3-5,8-12,17H,2,6-7,13-15H2,1H3
InChIKey:
NKNVCXFUQXENGS-UHFFFAOYSA-N

Cite this record

CBID:323847 http://www.chembase.cn/molecule-323847.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-ethyl-6-oxo-1-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
IUPAC Traditional name
N-ethyl-6-oxo-1-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
Synonyms
N-ethyl-6-oxo-1-(2-pyridinylmethyl)-N-(4-pyridinylmethyl)-3-piperidinecarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11491173 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 0.43228778  LogD (pH = 7.4) 0.557731 
Log P 0.5595781  Molar Refractivity 98.5949 cm3
Polarizability 38.22413 Å3 Polar Surface Area 66.4 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.15  LOG S -1.35 
Polar Surface Area 66.4 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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