17968055 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 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 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 1 1 1 1 2 3 3 3 4 4 5 5 6 6 6 7 7 7 8 8 9 9 10 10 11 11 12 12 13 13 13 14 15 16 17 17 17 18 19 19 19 20 20 21 22 23 24 24 25 25 26 26 27 28 28 28 8 9 21 6 7 10 16 22 23 25 8 29 30 9 31 32 33 34 35 36 11 12 14 37 15 38 14 15 16 39 40 18 18 19 20 41 21 42 43 22 44 23 45 24 26 46 27 28 27 47 48 49 50 51 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 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 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 2.866 3.732 2.866 2 6.3301 3.732 2 3.732 2 2.866 3.732 2 2.866 3.732 2 2.866 3.732 3.732 4.5981 2.866 4.5981 2 5.4641 5.4641 7.1962 6.3301 7.1962 8.0622 4.3426 3.9441 1.788 1.3894 3.9441 4.3426 1.3894 1.788 4.269 1.4631 4.269 1.4631 4.269 4.8101 5.2087 2.866 1.4631 4.9272 6.3301 7.7331 7.7522 8.5991 8.3722 -5.5 4 -3.5 1 3.5 -4 -4 -5 -5 -2.5 -2 -2 -0.5 -1 -1 0.5 2 1 2.5 2.5 3.5 2 4 5 4 5.5 5 3.5 -4.1077 -3.4174 -3.4174 -4.1077 -5.5826 -4.8923 -4.8923 -5.5826 -2.31 -2.31 -0.69 -0.69 0.69 1.9174 2.6077 3.12 2.31 5.31 6.12 5.31 2.9631 3.19 4.0369 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 10 10 11 12 13 13 16 17 17 20 23 24 25 26 16 22 23 25 11 12 14 15 14 15 18 18 20 22 24 26 27 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 500 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30000000000000000000000000000000000000003C58B100000000000001F000001E00000000000C0CE19E063EC093081400A803B477440082802037022008D821B864D80A20F2C095B1872108608000D8C9871889C09E08000000000000001000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(6-methyl-2-pyridyl)-2-[2-(4-morpholinophenyl)-4-pyridyl]ethanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(6-methyl-2-pyridinyl)-2-[2-[4-(4-morpholinyl)phenyl]-4-pyridinyl]ethanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(6-methylpyridin-2-yl)-2-[2-(4-morpholin-4-ylphenyl)pyridin-4-yl]ethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(6-methylpyridin-2-yl)-2-[2-(4-morpholin-4-ylphenyl)pyridin-4-yl]ethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(6-methylpyridin-2-yl)-2-[2-(4-morpholin-4-ylphenyl)pyridin-4-yl]ethanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(6-methyl-2-pyridyl)-2-[2-(4-morpholinophenyl)-4-pyridyl]ethanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H23N3O2/c1-17-3-2-4-21(25-17)23(27)16-18-9-10-24-22(15-18)19-5-7-20(8-6-19)26-11-13-28-14-12-26/h2-10,15H,11-14,16H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YHQQBBOYJUVYBR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 373.17902698 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H23N3O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 373.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=NC(=CC=C1)C(=O)CC2=CC(=NC=C2)C3=CC=C(C=C3)N4CCOCC4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=NC(=CC=C1)C(=O)CC2=CC(=NC=C2)C3=CC=C(C=C3)N4CCOCC4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 55.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 373.17902698 28 0 0 0 0 0 0 0 1 -1