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133928-64-0 molecular structure
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2-chloro-N,3-dimethyl-N-phenylpyridine-4-carboxamide

ChemBase ID: 798883
Molecular Formular: C14H13ClN2O
Molecular Mass: 260.71882
Monoisotopic Mass: 260.07164073
SMILES and InChIs

SMILES:
c1(c(c(ncc1)Cl)C)C(=O)N(c1ccccc1)C
Canonical SMILES:
CN(C(=O)c1ccnc(c1C)Cl)c1ccccc1
InChI:
InChI=1S/C14H13ClN2O/c1-10-12(8-9-16-13(10)15)14(18)17(2)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKey:
GYLIQEMRUQOVEK-UHFFFAOYSA-N

Cite this record

CBID:798883 http://www.chembase.cn/molecule-798883.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N,3-dimethyl-N-phenylpyridine-4-carboxamide
IUPAC Traditional name
2-chloro-N,3-dimethyl-N-phenylpyridine-4-carboxamide
Synonyms
2-chloro-N,3-dimethyl-N-phenylisonicotinamide
CAS Number
133928-64-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O12587 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O12587 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0491674  LogD (pH = 7.4) 3.0491674 
Log P 3.0491674  Molar Refractivity 73.4578 cm3
Polarizability 27.575369 Å3 Polar Surface Area 33.2 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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