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N-[1-(4-methyl-1H-imidazol-2-yl)propyl]-2-(pyridin-2-yl)acetamide

ChemBase ID: 450069
Molecular Formular: C14H18N4O
Molecular Mass: 258.31892
Monoisotopic Mass: 258.14806122
SMILES and InChIs

SMILES:
n1c([nH]cc1C)C(NC(=O)Cc1ncccc1)CC
Canonical SMILES:
CCC(c1[nH]cc(n1)C)NC(=O)Cc1ccccn1
InChI:
InChI=1S/C14H18N4O/c1-3-12(14-16-9-10(2)17-14)18-13(19)8-11-6-4-5-7-15-11/h4-7,9,12H,3,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKey:
VBSYFVFVGBAFJB-UHFFFAOYSA-N

Cite this record

CBID:450069 http://www.chembase.cn/molecule-450069.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[1-(4-methyl-1H-imidazol-2-yl)propyl]-2-(pyridin-2-yl)acetamide
IUPAC Traditional name
N-[1-(4-methyl-1H-imidazol-2-yl)propyl]-2-(pyridin-2-yl)acetamide
Synonyms
N-[1-(4-methyl-1H-imidazol-2-yl)propyl]-2-pyridin-2-ylacetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 30668241 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 12.795618  H Acceptors
H Donor LogD (pH = 5.5) 0.49006766 
LogD (pH = 7.4) 1.0809745  Log P 1.0977318 
Molar Refractivity 72.0594 cm3 Polarizability 28.01608 Å3
Polar Surface Area 70.67 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.03  LOG S -1.12 
Polar Surface Area 70.67 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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