59374314 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 52 53 54 8 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 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 1 2 3 3 4 4 4 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 14 14 15 15 15 17 17 18 18 19 20 20 21 21 22 22 23 23 24 25 26 27 27 28 28 29 29 30 8 15 13 16 20 11 12 13 16 19 23 26 50 26 29 9 11 31 10 32 33 12 34 35 36 37 38 39 14 16 17 40 41 42 18 43 19 44 45 21 22 24 46 25 47 24 25 48 49 27 28 51 30 52 30 53 54 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 2 1 1 1 1 8 1 9 11 31 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 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 2.866 5.4641 6.3301 3.732 5.4641 9.7942 10.6603 2.866 2 2 3.732 2.866 4.5981 4.5981 2 5.4641 3.732 3.732 4.5981 7.1962 7.1962 8.0622 8.9282 8.0622 8.9282 10.6603 11.5263 12.3923 11.5263 12.3923 3.403 1.788 1.3894 1.3894 1.788 4.3426 3.9441 2.4675 3.2646 2.31 1.4631 1.69 3.1951 3.1951 4.5981 6.6592 8.0622 8.0622 9.4651 9.7942 11.5263 12.9292 11.5263 12.9292 3.06 0.56 -0.94 0.56 -2.44 -2.94 -1.44 2.06 1.56 0.56 1.56 0.06 0.06 -0.94 3.56 -1.44 -1.44 -2.44 -2.94 -1.44 -2.44 -0.94 -2.44 -2.94 -1.44 -2.44 -2.94 -2.44 -0.94 -1.44 2.37 2.1426 1.4523 0.6677 -0.0226 1.4523 2.1426 -0.4149 -0.4149 4.0969 3.87 3.0231 -1.13 -2.75 -3.56 -2.75 -0.32 -3.56 -1.13 -3.56 -3.56 -2.75 -0.32 -1.13 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 7 7 8 14 14 17 18 20 20 21 22 23 23 26 27 28 29 16 19 26 29 1 16 17 18 19 21 22 24 25 24 25 27 28 30 30 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 541 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB0000000000000000000000000000000000000003C58B100000000000001F000001E00100000000C1CE19A063FF693C81400A8023777740082882935222009D8213E6CD88E26FEC4FD9B8F39E8EEF613D8E9E7B851000C00400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (3-methoxy-1-piperidyl)-[2-[4-(2-pyridylamino)phenoxy]-3-pyridyl]methanone IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (3-methoxy-1-piperidinyl)-[2-[4-(2-pyridinylamino)phenoxy]-3-pyridinyl]methanone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (3-methoxypiperidin-1-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]pyridin-3-yl]methanone IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (3-methoxypiperidin-1-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]pyridin-3-yl]methanone IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (3-methoxypiperidin-1-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]pyridin-3-yl]methanone IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (3-methoxypiperidino)-[2-[4-(2-pyridylamino)phenoxy]-3-pyridyl]methanone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C23H24N4O3/c1-29-19-6-5-15-27(16-19)23(28)20-7-4-14-25-22(20)30-18-11-9-17(10-12-18)26-21-8-2-3-13-24-21/h2-4,7-14,19H,5-6,15-16H2,1H3,(H,24,26) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VBMBLEBVOTXJTF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 404.18484064 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H24N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 404.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1CCCN(C1)C(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)NC4=CC=CC=N4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1CCCN(C1)C(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)NC4=CC=CC=N4 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 76.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 404.18484064 30 1 0 1 0 0 0 0 1 -1