Synonyms
N-(9-Deoxy-epi-cinchonidin-9-yl)picolinamide;1414851-57-2;ZINC96029538;N-[(8S,9S)-Cinchonan-9-yl]-2-pyridinecarboxamide;
IUPAC Name
N-[(S)-[(2S,4S,5R)-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)/t17-,18-,23-,24-/m0/s1;
InChI Key
DKBSGEPCDLMFJP-MQQADFIWSA-N;
Complexity
624
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
4
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
