200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 1443748-47-7
1443748-47-7 | 2-Pyridinecarbonitrile, 3-[(3R)-3-methyl-4-(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)-1-piperazinyl]-
CAS No: 1443748-47-7 Catalog No: AG001JES MDL No:
Product Description
Catalog Number:
AG001JES
Chemical Name:
2-Pyridinecarbonitrile, 3-[(3R)-3-methyl-4-(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)-1-piperazinyl]-
CAS Number:
1443748-47-7
Molecular Formula:
C22H28N4O
Molecular Weight:
364.4839
IUPAC Name:
3-[(3R)-4-(adamantane-1-carbonyl)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile
InChI:
InChI=1S/C22H28N4O/c1-15-14-25(20-3-2-4-24-19(20)13-23)5-6-26(15)21(27)22-10-16-7-17(11-22)9-18(8-16)12-22/h2-4,15-18H,5-12,14H2,1H3/t15-,16?,17?,18?,22?/m1/s1
InChI Key:
NRWYEXCPHKZKIR-NOCBQHASSA-N
SMILES:
N#Cc1ncccc1N1CCN([C@@H](C1)C)C(=O)C12CC3CC(C2)CC(C1)C3
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
364.226g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.493g/mol
Monoisotopic Mass:
364.226g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| N-Acyl-N'-arylpiperazines as negative allosteric modulators of mGlu1: identification of VU0469650, a potent and selective tool compound with CNS exposure in rats. | Bioorganic & medicinal chemistry letters 20130701 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.