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1422067-13-7 | N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-1-carboxamide
CAS No: 1422067-13-7 Catalog No: AG01DKFH MDL No:
Product Description
Catalog Number:
AG01DKFH
Chemical Name:
N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-1-carboxamide
CAS Number:
1422067-13-7
Molecular Formula:
C13H17N3O
Molecular Weight:
231.2936
IUPAC Name:
N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
InChI:
InChI=1S/C13H17N3O/c17-12(11-6-13(11)3-5-15-9-13)16-8-10-2-1-4-14-7-10/h1-2,4,7,11,15H,3,5-6,8-9H2,(H,16,17)
InChI Key:
KYHHNNAIQFIAPS-UHFFFAOYSA-N
SMILES:
O=C(C1CC21CNCC2)NCc1cccnc1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.299g/mol
Monoisotopic Mass:
231.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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