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N-{[2-(diethylamino)pyridin-3-yl]methyl}-6-(pyrrolidine-1-carbonyl)pyrazin-2-amine

ChemBase ID: 470653
Molecular Formular: C19H26N6O
Molecular Mass: 354.44934
Monoisotopic Mass: 354.21680948
SMILES and InChIs

SMILES:
c1(C(=O)N2CCCC2)nc(NCc2c(nccc2)N(CC)CC)cnc1
Canonical SMILES:
CCN(c1ncccc1CNc1cncc(n1)C(=O)N1CCCC1)CC
InChI:
InChI=1S/C19H26N6O/c1-3-24(4-2)18-15(8-7-9-21-18)12-22-17-14-20-13-16(23-17)19(26)25-10-5-6-11-25/h7-9,13-14H,3-6,10-12H2,1-2H3,(H,22,23)
InChIKey:
OZMOYJYRHYVASM-UHFFFAOYSA-N

Cite this record

CBID:470653 http://www.chembase.cn/molecule-470653.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[2-(diethylamino)pyridin-3-yl]methyl}-6-(pyrrolidine-1-carbonyl)pyrazin-2-amine
IUPAC Traditional name
N-{[2-(diethylamino)pyridin-3-yl]methyl}-6-(pyrrolidine-1-carbonyl)pyrazin-2-amine
Synonyms
N-{[2-(diethylamino)pyridin-3-yl]methyl}-6-(pyrrolidin-1-ylcarbonyl)pyrazin-2-amine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 33991380 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 16.6089  H Acceptors
H Donor LogD (pH = 5.5) 0.9156495 
LogD (pH = 7.4) 1.5929608  Log P 1.6176949 
Molar Refractivity 104.9873 cm3 Polarizability 38.199394 Å3
Polar Surface Area 74.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.32  LOG S -2.91 
Polar Surface Area 74.25 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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