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24813-24-9 | 4-Pyridinecarboxamide, N-tricyclo[3.3.1.13,7]dec-1-yl-
CAS No: 24813-24-9 Catalog No: AG002PJG MDL No:
Product Description
Catalog Number:
AG002PJG
Chemical Name:
4-Pyridinecarboxamide, N-tricyclo[3.3.1.13,7]dec-1-yl-
CAS Number:
24813-24-9
Molecular Formula:
C16H20N2O
Molecular Weight:
256.3428
IUPAC Name:
N-(1-adamantyl)pyridine-4-carboxamide
InChI:
InChI=1S/C16H20N2O/c19-15(14-1-3-17-4-2-14)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13H,5-10H2,(H,18,19)
InChI Key:
ZYHRNAFWSGXHDQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)NC12CC3CC(C2)CC(C1)C3
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.349g/mol
Monoisotopic Mass:
256.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| 4-[(Adamantan-1-yl)carbamo-yl]pyridinium chloride. | Acta crystallographica. Section E, Structure reports online 20120601 |
| Di-μ-chlorido-bis-{bis-[4-(adamantan-1-ylcarbamo-yl)pyridine-κN]chlorido-copper(II)} hemihydrate. | Acta crystallographica. Section E, Structure reports online 20120201 |
| 4-[(1-Adamant-yl)carbamo-yl]pyridinium chloride. | Acta crystallographica. Section E, Structure reports online 20110101 |
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