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4-(piperidin-1-yl)-1-[4-(pyridin-2-yl)pyrimidin-2-yl]piperidine-4-carboxamide

ChemBase ID: 320490
Molecular Formular: C20H26N6O
Molecular Mass: 366.46004
Monoisotopic Mass: 366.21680948
SMILES and InChIs

SMILES:
c1(nc(c2ncccc2)ccn1)N1CCC(N2CCCCC2)(C(=O)N)CC1
Canonical SMILES:
NC(=O)C1(CCN(CC1)c1nccc(n1)c1ccccn1)N1CCCCC1
InChI:
InChI=1S/C20H26N6O/c21-18(27)20(26-12-4-1-5-13-26)8-14-25(15-9-20)19-23-11-7-17(24-19)16-6-2-3-10-22-16/h2-3,6-7,10-11H,1,4-5,8-9,12-15H2,(H2,21,27)
InChIKey:
APOAGRPSPYBJIG-UHFFFAOYSA-N

Cite this record

CBID:320490 http://www.chembase.cn/molecule-320490.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(piperidin-1-yl)-1-[4-(pyridin-2-yl)pyrimidin-2-yl]piperidine-4-carboxamide
IUPAC Traditional name
4-(piperidin-1-yl)-1-[4-(pyridin-2-yl)pyrimidin-2-yl]piperidine-4-carboxamide
Synonyms
1'-[4-(2-pyridinyl)-2-pyrimidinyl]-1,4'-bipiperidine-4'-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.7342615  H Acceptors
H Donor LogD (pH = 5.5) -0.6420385 
LogD (pH = 7.4) 1.1221077  Log P 1.8141791 
Molar Refractivity 104.8719 cm3 Polarizability 41.27431 Å3
Polar Surface Area 88.24 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.99  LOG S -3.38 
Polar Surface Area 88.24 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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