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22632-06-0 molecular structure
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5-butylpyridine-2-carboxamide

ChemBase ID: 126278
Molecular Formular: C10H14N2O
Molecular Mass: 178.23096
Monoisotopic Mass: 178.11061308
SMILES and InChIs

SMILES:
O=C(c1ncc(cc1)CCCC)N
Canonical SMILES:
CCCCc1ccc(nc1)C(=O)N
InChI:
InChI=1S/C10H14N2O/c1-2-3-4-8-5-6-9(10(11)13)12-7-8/h5-7H,2-4H2,1H3,(H2,11,13)
InChIKey:
VKSPIPWLHGKJQO-UHFFFAOYSA-N

Cite this record

CBID:126278 http://www.chembase.cn/molecule-126278.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-butylpyridine-2-carboxamide
IUPAC Traditional name
bupicomide
Synonyms
Sch-10595
Fusaramide
Bupicomide
CAS Number
22632-06-0
PubChem SID
162220617
PubChem CID
31447
Chemspider ID
29167
Unique Ingredient Identifier
0X3H76N0HY
Wikipedia Title
Bupicomide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.366416  H Acceptors
H Donor LogD (pH = 5.5) 1.8391453 
LogD (pH = 7.4) 1.8391908  Log P 1.8391914 
Molar Refractivity 51.4517 cm3 Polarizability 19.554882 Å3
Polar Surface Area 55.98 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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