Synonyms
N-[(9S)-8|A-Cinchonan-9-yl]picolinamide;1414851-55-0;1414851-57-2;2-Pyridinecarboxamide, N-(9R)-cinchonan-9-yl-;
IUPAC Name
N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethyl]pyridine-2-carboxamide;
Molecular Weight
398.51g/mol
Molecular Formula
C25H26N4O;
Canonical SMILES
C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)NC(=O)C5=CC=CC=N5;
InChI
InChI=1S/C25H26N4O/c1-2-17-16-29-14-11-18(17)15-23(29)24(28-25(30)22-9-5-6-12-26-22)20-10-13-27-21-8-4-3-7-19(20)21/h2-10,12-13,17-18,23-24H,1,11,14-16H2,(H,28,30);
InChI Key
DKBSGEPCDLMFJP-UHFFFAOYSA-N;
Complexity
624
Covalently-Bonded Unit Count
1
Exact Mass
398.211g/mol
H-Bond Acceptor
4
H-Bond Donor
1
Heavy Atom Count
30
Monoisotopic Mass
398.211g/mol
Rotatable Bond Count
5
Topological Polar Surface Area
58.1A^2
Undefined Atom Stereocenter Count
4
