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N-[cyclopropyl(3-methylpyridin-2-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide

ChemBase ID: 398825
Molecular Formular: C18H22N4O
Molecular Mass: 310.39348
Monoisotopic Mass: 310.17936134
SMILES and InChIs

SMILES:
N(C(=O)c1cnc(N(C)C)cc1)C(c1ncccc1C)C1CC1
Canonical SMILES:
O=C(c1ccc(nc1)N(C)C)NC(c1ncccc1C)C1CC1
InChI:
InChI=1S/C18H22N4O/c1-12-5-4-10-19-16(12)17(13-6-7-13)21-18(23)14-8-9-15(20-11-14)22(2)3/h4-5,8-11,13,17H,6-7H2,1-3H3,(H,21,23)
InChIKey:
VSGYZIMPTMACCA-UHFFFAOYSA-N

Cite this record

CBID:398825 http://www.chembase.cn/molecule-398825.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[cyclopropyl(3-methylpyridin-2-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide
IUPAC Traditional name
N-[cyclopropyl(3-methylpyridin-2-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide
Synonyms
N-[cyclopropyl(3-methylpyridin-2-yl)methyl]-6-(dimethylamino)nicotinamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 22564162 external link Add to cart
Data Source Data ID Price
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.5755205  H Acceptors
H Donor LogD (pH = 5.5) 2.4779139 
LogD (pH = 7.4) 2.624537  Log P 2.6266186 
Molar Refractivity 91.2803 cm3 Polarizability 34.17868 Å3
Polar Surface Area 58.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.76  LOG S -2.52 
Polar Surface Area 58.12 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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