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6-[(2-ethylpiperidin-1-yl)methyl]-N-[(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxamide

ChemBase ID: 510134
Molecular Formular: C25H34N4O2
Molecular Mass: 422.56306
Monoisotopic Mass: 422.26817635
SMILES and InChIs

SMILES:
c1(c(=O)[nH]c(cc1)CN1C(CC)CCCC1)C(=O)NCc1cc2c(N(CCC2)C)cc1
Canonical SMILES:
CCC1CCCCN1Cc1ccc(c(=O)[nH]1)C(=O)NCc1ccc2c(c1)CCCN2C
InChI:
InChI=1S/C25H34N4O2/c1-3-21-8-4-5-14-29(21)17-20-10-11-22(25(31)27-20)24(30)26-16-18-9-12-23-19(15-18)7-6-13-28(23)2/h9-12,15,21H,3-8,13-14,16-17H2,1-2H3,(H,26,30)(H,27,31)
InChIKey:
GHBFYJVOTKHUGX-UHFFFAOYSA-N

Cite this record

CBID:510134 http://www.chembase.cn/molecule-510134.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-[(2-ethylpiperidin-1-yl)methyl]-N-[(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
IUPAC Traditional name
6-[(2-ethylpiperidin-1-yl)methyl]-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
Synonyms
6-[(2-ethyl-1-piperidinyl)methyl]-N-[(1-methyl-1,2,3,4-tetrahydro-6-quinolinyl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 40478466 external link Add to cart
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 10.190841  H Acceptors
H Donor LogD (pH = 5.5) -0.024748744 
LogD (pH = 7.4) 1.8084091  Log P 2.8239448 
Molar Refractivity 127.9647 cm3 Polarizability 47.651836 Å3
Polar Surface Area 64.68 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.6  LOG S -5.18 
Polar Surface Area 68.44 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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