10130417 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 10 10 11 11 12 12 13 14 14 15 4 8 9 13 15 5 6 7 16 10 11 17 8 20 21 9 22 23 10 18 19 24 25 26 27 28 29 12 13 14 30 31 15 32 33 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 4 1 10 11 17 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 4.0501 2.0508 4.3089 2.829 5.7078 3.9383 2.2756 5.449 3.0723 2 2.8639 3.7469 2.0159 3.7818 2.9337 4.2479 2.2868 2.2706 1.6613 6.3018 5.9028 4.52 3.6751 5.2541 6.043 2.7675 2.5294 1.4252 1.7089 4.2727 1.4685 4.3292 2.9554 0.7746 -2.6197 1.7406 -0.091 1.2317 3.0892 1.4294 0.2658 2.5892 0.4682 -1.0904 -1.5599 -1.6203 -2.5593 -3.0892 1.1236 -0.3916 2.0494 1.5132 1.054 1.8203 3.3037 3.6506 -0.3227 0.088 3.1291 2.2898 0.7004 -0.0793 -1.2313 -1.3293 -2.8504 -3.7088 8 8 3 8 8 8 8 2 2 4 11 11 12 14 13 15 11 12 13 14 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 209 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07300000000000000000000000000000000000000002C580000058B000000018000001C00000000000D28C11A043C8093081000A0023067440082802031022008D8203864980820E2C0D191842008608000C8C8071080C00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3-pyridyl)-1-azabicyclo[3.2.2]nonane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3-pyridinyl)-1-azabicyclo[3.2.2]nonane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-pyridin-3-yl-1-azabicyclo[3.2.2]nonane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-pyridin-3-yl-1-azabicyclo[3.2.2]nonane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-pyridin-3-yl-1-azabicyclo[3.2.2]nonane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3-pyridyl)-1-azabicyclo[3.2.2]nonane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H18N2/c1-2-12(10-14-7-1)13-4-3-11-5-8-15(13)9-6-11/h1-2,7,10-11,13H,3-6,8-9H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WIEWCOLOPGXZDJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 202.146998583 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H18N2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 202.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC(N2CCC1CC2)C3=CN=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC(N2CCC1CC2)C3=CN=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 16.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 202.146998583 15 1 0 1 0 0 0 0 1 1