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126947-73-7

126947-73-7 | 3-Pyridinecarboxylic acid, 5-[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]-, ethyl ester

CAS No: 126947-73-7 Catalog No: AG000WGD MDL No:

Product Description

Catalog Number:
AG000WGD
Chemical Name:
3-Pyridinecarboxylic acid, 5-[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]-, ethyl ester
CAS Number:
126947-73-7
Molecular Formula:
C19H24N2O3
Molecular Weight:
328.4055
IUPAC Name:
ethyl 5-(1-adamantylamino)pyridine-3-carboxylate
InChI:
InChI=1S/C18H24N2O2/c1-2-22-17(21)15-6-16(11-19-10-15)20-18-7-12-3-13(8-18)5-14(4-12)9-18/h6,10-14,20H,2-5,7-9H2,1H3
InChI Key:
FPJAPBRGIWGFBH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cncc(c1)NC(=O)C12CC3CC(C2)CC(C1)C3

Properties

Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.184g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
300.402g/mol
Monoisotopic Mass:
300.184g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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