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24813-26-1 | 3-Pyridinecarboxamide, N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-
CAS No: 24813-26-1 Catalog No: AG002PJF MDL No:
Product Description
Catalog Number:
AG002PJF
Chemical Name:
3-Pyridinecarboxamide, N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-
CAS Number:
24813-26-1
Molecular Formula:
C17H22N2O
Molecular Weight:
270.3694
IUPAC Name:
N-(1-adamantylmethyl)pyridine-3-carboxamide
InChI:
InChI=1S/C17H22N2O/c20-16(15-2-1-3-18-10-15)19-11-17-7-12-4-13(8-17)6-14(5-12)9-17/h1-3,10,12-14H,4-9,11H2,(H,19,20)
InChI Key:
PAFNPGZCRJCQGN-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)NCC12CC3CC(C2)CC(C1)C3
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.376g/mol
Monoisotopic Mass:
270.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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