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3-[4-(dimethylamino)-2-methyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methyl-1,2-dihydropyridin-2-one

ChemBase ID: 865895
Molecular Formular: C17H21N5O2
Molecular Mass: 327.38094
Monoisotopic Mass: 327.16952494
SMILES and InChIs

SMILES:
c1(C(=O)N2Cc3c(c(nc(n3)C)N(C)C)CC2)c(=O)[nH]c(cc1)C
Canonical SMILES:
Cc1nc2CN(CCc2c(n1)N(C)C)C(=O)c1ccc([nH]c1=O)C
InChI:
InChI=1S/C17H21N5O2/c1-10-5-6-13(16(23)18-10)17(24)22-8-7-12-14(9-22)19-11(2)20-15(12)21(3)4/h5-6H,7-9H2,1-4H3,(H,18,23)
InChIKey:
JKAPJATXNBPYTM-UHFFFAOYSA-N

Cite this record

CBID:865895 http://www.chembase.cn/molecule-865895.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[4-(dimethylamino)-2-methyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methyl-1,2-dihydropyridin-2-one
IUPAC Traditional name
3-[4-(dimethylamino)-2-methyl-5H,6H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methyl-1H-pyridin-2-one
Synonyms
3-{[4-(dimethylamino)-2-methyl-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl]carbonyl}-6-methyl-2(1H)-pyridinone

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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 10.751317  H Acceptors
H Donor LogD (pH = 5.5) 0.7068513 
LogD (pH = 7.4) 0.89811635  Log P 0.9013752 
Molar Refractivity 94.9851 cm3 Polarizability 34.034405 Å3
Polar Surface Area 78.43 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.35  LOG S -2.6 
Polar Surface Area 82.19 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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