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MFCD08253275 molecular structure
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4,6-dimethyl-2-(pyrrolidin-1-yl)pyridine-3-carboxamide

ChemBase ID: 270260
Molecular Formular: C12H17N3O
Molecular Mass: 219.28288
Monoisotopic Mass: 219.13716218
SMILES and InChIs

SMILES:
c1(c(c(cc(n1)C)C)C(=O)N)N1CCCC1
Canonical SMILES:
Cc1cc(C)c(c(n1)N1CCCC1)C(=O)N
InChI:
InChI=1S/C12H17N3O/c1-8-7-9(2)14-12(10(8)11(13)16)15-5-3-4-6-15/h7H,3-6H2,1-2H3,(H2,13,16)
InChIKey:
HVHSBINCDWHKMM-UHFFFAOYSA-N

Cite this record

CBID:270260 http://www.chembase.cn/molecule-270260.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,6-dimethyl-2-(pyrrolidin-1-yl)pyridine-3-carboxamide
IUPAC Traditional name
4,6-dimethyl-2-(pyrrolidin-1-yl)pyridine-3-carboxamide
Synonyms
4,6-dimethyl-2-(pyrrolidin-1-yl)pyridine-3-carboxamide
MDL Number
MFCD08253275
PubChem SID
164326170
PubChem CID
9506768

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69054 external link Add to cart Please log in.
Data Source Data ID
PubChem 9506768 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.380911  H Acceptors
H Donor LogD (pH = 5.5) 0.021798072 
LogD (pH = 7.4) 1.2325525  Log P 1.3593041 
Molar Refractivity 64.8953 cm3 Polarizability 23.574371 Å3
Polar Surface Area 59.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
174 - 176°C expand Show data source
Hydrophobicity(logP)
1.281 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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