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306979-88-4

306979-88-4 | 5-acetyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile

CAS No: 306979-88-4 Catalog No: AG00INZR MDL No:MFCD00793604

Product Description

Catalog Number:
AG00INZR
Chemical Name:
5-acetyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
CAS Number:
306979-88-4
Molecular Formula:
C19H20N4O
Molecular Weight:
320.3883
MDL Number:
MFCD00793604
IUPAC Name:
5-acetyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
InChI:
InChI=1S/C19H20N4O/c1-14-18(15(2)24)12-16(13-20)19(21-14)23-10-8-22(9-11-23)17-6-4-3-5-7-17/h3-7,12H,8-11H2,1-2H3
InChI Key:
OTNVPOXWTBBLNA-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C(=O)C)c(nc1N1CCN(CC1)c1ccccc1)C

Properties

Complexity:
485  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.164g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.396g/mol
Monoisotopic Mass:
320.164g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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