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19858-61-8

19858-61-8 | 2,7-Naphthyridine-4-carbonitrile, 1,8-diamino-3,6-dimethoxy-

CAS No: 19858-61-8 Catalog No: AG002BMS MDL No:MFCD02358955

Product Description

Catalog Number:
AG002BMS
Chemical Name:
2,7-Naphthyridine-4-carbonitrile, 1,8-diamino-3,6-dimethoxy-
CAS Number:
19858-61-8
Molecular Formula:
C11H11N5O2
Molecular Weight:
245.2373
MDL Number:
MFCD02358955
IUPAC Name:
1,8-diamino-3,6-dimethoxy-2,7-naphthyridine-4-carbonitrile
InChI:
InChI=1S/C11H11N5O2/c1-17-7-3-5-6(4-12)11(18-2)16-10(14)8(5)9(13)15-7/h3H,1-2H3,(H2,13,15)(H2,14,16)
InChI Key:
PWTPNGNIVWZAAU-UHFFFAOYSA-N
SMILES:
COc1nc(N)c2c(c1)c(C#N)c(nc2N)OC

Properties

Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.091g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
245.242g/mol
Monoisotopic Mass:
245.091g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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