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1227465-83-9 molecular structure
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5-amino-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

ChemBase ID: 309409
Molecular Formular: C8H11N3O2
Molecular Mass: 181.19184
Monoisotopic Mass: 181.08512661
SMILES and InChIs

SMILES:
c1(c(c(c([nH]c1=O)C)N)C)C(=O)N
Canonical SMILES:
NC(=O)c1c(=O)[nH]c(c(c1C)N)C
InChI:
InChI=1S/C8H11N3O2/c1-3-5(7(10)12)8(13)11-4(2)6(3)9/h9H2,1-2H3,(H2,10,12)(H,11,13)
InChIKey:
NRWLIKUNUBFPJR-UHFFFAOYSA-N

Cite this record

CBID:309409 http://www.chembase.cn/molecule-309409.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-amino-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
IUPAC Traditional name
5-amino-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
Synonyms
5-amino-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CAS Number
1227465-83-9
MDL Number
MFCD16556142

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.7936002  LogD (pH = 7.4) -1.7937598 
Log P -1.7935982  Molar Refractivity 49.5927 cm3
Polarizability 17.8572 Å3 Polar Surface Area 98.21 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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