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1-[2-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-6-oxo-1,6-dihydro-pyridine-3-carbonitrile

1-[2-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-6-oxo-1,6-dihydro-pyridine-3-carbonitrile structure

CAS No:
1449747-00-5
Formula:
C21H19N3O2
Chemical Name:
1-[2-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-6-oxo-1,6-dihydro-pyridine-3-carbonitrile
Synonyms:
1-[2-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-6-oxo-1,6-dihydro-pyridine-3-carbonitrile;CYM-5520;1-[2-[2,5-Dimethyl-1-(phenylmethyl)-1H-pyrrol-3-yl]-2-oxoethyl]-1,6-dihydro-6-oxo-3-pyridinecarbonitrile;3-Pyridinecarbonitrile, 1-[2-[2,5-dimethyl-1-(phenylmethyl)-1H-pyrrol-3-yl]-2-oxoethyl]-1,6-dihydro-6-oxo-

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1-[2-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-6-oxo-1,6-dihydro-pyridine-3-carbonitrile Basic Attributes

Molecular Weight：

345.39

Exact Mass：

345.147726857

Characteristics

PSA：

67.79000

XLogP3：

3.06948

Density：

1.16±0.1 g/cm3

Boiling Point：

580.5±50.0 °C(Predicted)

PKA：

-2.80±0.70

Safety Information

Transport codes：

UN 2811 6.1 / PGIII

wgk germany：

hazard class code：

25-41

safety instructions：

26-39-45

Marks：

Drug Information

MeSH Entry Terms：

CYM-5520

Computed Properties

Molecular Weight:345.4
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:345.147726857
Monoisotopic Mass:345.147726857
Topological Polar Surface Area:66.1
Heavy Atom Count:26
Complexity:666
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: iron nitrate; aceclofenac; tert butanol; pentanal; 9 me bc; sulfur trioxide formula

Guide of 1-[2-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-6-oxo-1,6-dihydro-pyridine-3-carbonitrile

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

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