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126999-38-0 | 3-Pyridinecarboxamide, 5-bromo-N-tricyclo[3.3.1.13,7]dec-1-yl-
CAS No: 126999-38-0 Catalog No: AG000WI1 MDL No:
Product Description
Catalog Number:
AG000WI1
Chemical Name:
3-Pyridinecarboxamide, 5-bromo-N-tricyclo[3.3.1.13,7]dec-1-yl-
CAS Number:
126999-38-0
Molecular Formula:
C16H19BrN2O
Molecular Weight:
335.2389
IUPAC Name:
N-(1-adamantyl)-5-bromopyridine-3-carboxamide
InChI:
InChI=1S/C16H19BrN2O/c17-14-4-13(8-18-9-14)15(20)19-16-5-10-1-11(6-16)3-12(2-10)7-16/h4,8-12H,1-3,5-7H2,(H,19,20)
InChI Key:
ZZAVMUUVTVJDNX-UHFFFAOYSA-N
SMILES:
Brc1cncc(c1)C(=O)NC12CC3CC(C2)CC(C1)C3
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.245g/mol
Monoisotopic Mass:
334.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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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