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N-cyclopropyl-4-({2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}amino)pyridine-2-carboxamide

ChemBase ID: 370419
Molecular Formular: C17H18F3N5O
Molecular Mass: 365.3529296
Monoisotopic Mass: 365.14634488
SMILES and InChIs

SMILES:
C(c1nc(nc(c1)C)CCNc1cc(C(=O)NC2CC2)ncc1)(F)(F)F
Canonical SMILES:
Cc1nc(CCNc2ccnc(c2)C(=O)NC2CC2)nc(c1)C(F)(F)F
InChI:
InChI=1S/C17H18F3N5O/c1-10-8-14(17(18,19)20)25-15(23-10)5-7-21-12-4-6-22-13(9-12)16(26)24-11-2-3-11/h4,6,8-9,11H,2-3,5,7H2,1H3,(H,21,22)(H,24,26)
InChIKey:
HMNYZRBZYVBTCE-UHFFFAOYSA-N

Cite this record

CBID:370419 http://www.chembase.cn/molecule-370419.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyclopropyl-4-({2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}amino)pyridine-2-carboxamide
IUPAC Traditional name
N-cyclopropyl-4-({2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}amino)pyridine-2-carboxamide
Synonyms
N-cyclopropyl-4-({2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}amino)-2-pyridinecarboxamide

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 14.705492  H Acceptors
H Donor LogD (pH = 5.5) 1.9733554 
LogD (pH = 7.4) 2.0537581  Log P 2.0548935 
Molar Refractivity 90.5894 cm3 Polarizability 32.57264 Å3
Polar Surface Area 79.8 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.02  LOG S -3.59 
Polar Surface Area 79.8 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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