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N-{[2-(dimethylamino)pyridin-3-yl]methyl}-3-hydroxypyridine-2-carboxamide

ChemBase ID: 866269
Molecular Formular: C14H16N4O2
Molecular Mass: 272.30244
Monoisotopic Mass: 272.12732577
SMILES and InChIs

SMILES:
c1(C(=O)NCc2c(nccc2)N(C)C)ncccc1O
Canonical SMILES:
O=C(c1ncccc1O)NCc1cccnc1N(C)C
InChI:
InChI=1S/C14H16N4O2/c1-18(2)13-10(5-3-8-16-13)9-17-14(20)12-11(19)6-4-7-15-12/h3-8,19H,9H2,1-2H3,(H,17,20)
InChIKey:
MWEAAJSALGZLNV-UHFFFAOYSA-N

Cite this record

CBID:866269 http://www.chembase.cn/molecule-866269.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[2-(dimethylamino)pyridin-3-yl]methyl}-3-hydroxypyridine-2-carboxamide
IUPAC Traditional name
N-{[2-(dimethylamino)pyridin-3-yl]methyl}-3-hydroxypyridine-2-carboxamide
Synonyms
N-{[2-(dimethylamino)pyridin-3-yl]methyl}-3-hydroxypyridine-2-carboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66828381 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)
Acid pKa 7.59076  H Acceptors
H Donor LogD (pH = 5.5) 1.0166541 
LogD (pH = 7.4) 1.4948816  Log P 1.5742724 
Molar Refractivity 76.6829 cm3 Polarizability 28.24966 Å3
Polar Surface Area 78.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.05  LOG S -2.94 
Polar Surface Area 78.35 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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