71922525 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 8 8 7 7 7 7 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 2 3 3 3 4 4 4 5 5 6 6 7 7 7 8 8 8 9 11 11 12 13 13 14 14 15 15 15 16 16 17 17 18 19 19 20 20 21 22 22 23 23 24 25 25 26 13 22 10 10 11 15 8 9 30 9 18 24 26 10 12 14 13 27 28 12 16 17 29 31 32 18 33 34 35 36 19 37 20 38 39 21 40 21 41 42 23 24 25 43 44 26 45 46 1 1 2 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 2 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 4.5981 6.3301 8.0622 5.4641 7.1962 2.866 7.1962 5.4641 6.3301 7.1962 8.0622 6.3301 4.5981 8.0622 8.9282 8.9282 7.1962 8.0622 8.9282 7.1962 8.0622 3.732 2.866 3.732 2 2 5.6762 6.0747 5.7932 4.9272 4.386 3.9875 8.5991 8.6182 9.4651 9.2382 9.4651 6.6592 8.5991 9.4651 6.6592 8.0622 2.866 4.269 1.4631 1.4631 -3.5 2.5 2.5 -1 -1 -5.5 1 -2 -0.5 2 3.5 0.5 -2.5 0.5 2 4 4 -0.5 5 5 5.5 -4 -3.5 -5 -4 -5 -2.5826 -1.8923 0.81 -0.69 -1.9174 -2.6077 0.81 1.4631 1.69 2.5369 3.69 3.69 -0.81 5.31 5.31 6.12 -2.88 -5.31 -3.69 -5.31 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 7 9 11 11 14 16 17 19 20 22 22 23 25 9 18 24 26 12 14 12 16 17 18 19 20 21 21 23 24 25 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 428 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB0000000000000000000000000000000000000003C588000000000000001F000001E00100000000C0CE19A063FF693C81400A8023777740482882935622009D8A13F6CD88E26F2C4BD9B873928ECD613D8E9A73400000A00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-methyl-N-phenyl-2-[2-(3-pyridyloxy)ethylamino]pyridine-4-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-methyl-N-phenyl-2-[2-(3-pyridinyloxy)ethylamino]-4-pyridinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-methyl-<I>N</I>-phenyl-2-(2-pyridin-3-yloxyethylamino)pyridine-4-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-methyl-N-phenyl-2-(2-pyridin-3-yloxyethylamino)pyridine-4-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-methyl-N-phenyl-2-(2-pyridin-3-yloxyethylamino)pyridine-4-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-methyl-N-phenyl-2-[2-(3-pyridyloxy)ethylamino]isonicotinamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H20N4O2/c1-24(17-6-3-2-4-7-17)20(25)16-9-11-22-19(14-16)23-12-13-26-18-8-5-10-21-15-18/h2-11,14-15H,12-13H2,1H3,(H,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GUEBQVTVSANBRU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 348.15862589 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H20N4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 348.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C1=CC=CC=C1)C(=O)C2=CC(=NC=C2)NCCOC3=CN=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C1=CC=CC=C1)C(=O)C2=CC(=NC=C2)NCCOC3=CN=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 67.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 348.15862589 26 0 0 0 0 0 0 0 1 -1