51589459 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 55 56 8 8 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 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 1 1 1 2 2 3 3 4 5 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 14 14 14 15 15 15 16 16 17 17 18 19 19 20 20 21 22 22 23 23 25 25 26 26 27 28 28 29 8 12 13 19 16 17 24 14 15 18 18 27 21 24 51 9 13 30 10 31 32 11 33 34 12 35 36 37 38 39 40 16 41 42 17 43 44 45 46 47 48 20 21 23 22 49 26 24 25 28 50 27 52 29 53 54 29 55 56 1 1 1 1 1 1 2 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 1 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 2 1 1 1 1 2 1 1 8 1 9 13 30 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 52 53 54 55 56 9.7942 8.0622 2 4.5981 3.732 5.4641 6.3301 9.7942 10.6603 11.5263 11.5263 10.6603 8.9282 3.732 2.866 2.866 2 4.5981 7.1962 4.5981 6.3301 5.4641 7.1962 5.4641 6.3301 5.4641 6.3301 6.3301 5.4641 9.2573 11.0588 10.2617 12.1369 11.7383 11.7383 12.1369 10.2617 11.0588 9.3267 8.5297 3.9441 4.3426 3.2646 2.4675 2.4675 3.2646 1.788 1.3894 4.0611 7.7331 6.8671 6.8671 4.9272 6.8671 6.3301 4.9272 1 2 -3.5 1 -2.5 -2.5 1 2 2.5 2 1 0.5 2.5 -3.5 -2 -4 -2.5 -2 2.5 -1 2 -0.5 3.5 0.5 -1 2.5 -2 4 3.5 1.69 2.975 2.975 1.8923 2.5826 0.4174 1.1077 0.0251 0.0251 2.975 2.975 -4.0826 -3.3923 -1.525 -1.525 -4.475 -4.475 -1.9174 -2.6077 -0.69 3.81 0.69 -0.69 2.19 -2.31 4.62 3.81 8 8 6 8 8 8 8 8 8 8 8 8 8 6 6 8 18 19 19 20 21 22 23 25 26 28 18 27 13 20 21 23 22 26 25 28 27 29 29 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 514 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 00000371E07B38000000000000000000000000000000000000003C589100000000000001C000001E00100000000C1CE19A063DF693C81400A8023777740082882935222009D8213F6CD88F2672C4BD9B873928ECD413DAE9A79440000A00000000000010000000000000002000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-morpholino-N-[2-[[(2S)-tetrahydropyran-2-yl]methoxy]phenyl]pyridine-4-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(4-morpholinyl)-N-[2-[[(2S)-2-oxanyl]methoxy]phenyl]-4-pyridinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-morpholin-4-yl-<I>N</I>-[2-[[(2<I>S</I>)-oxan-2-yl]methoxy]phenyl]pyridine-4-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-morpholin-4-yl-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]pyridine-4-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-morpholin-4-yl-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]pyridine-4-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-morpholino-N-[2-[[(2S)-tetrahydropyran-2-yl]methoxy]phenyl]isonicotinamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C22H27N3O4/c26-22(17-8-9-23-21(15-17)25-10-13-27-14-11-25)24-19-6-1-2-7-20(19)29-16-18-5-3-4-12-28-18/h1-2,6-9,15,18H,3-5,10-14,16H2,(H,24,26)/t18-/m0/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LUAUKCZNLZRWHG-SFHVURJKSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 397.20015635 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C22H27N3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 397.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CCOC(C1)COC2=CC=CC=C2NC(=O)C3=CC(=NC=C3)N4CCOCC4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CCO[C@@H](C1)COC2=CC=CC=C2NC(=O)C3=CC(=NC=C3)N4CCOCC4 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 72.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 397.20015635 29 1 1 0 0 0 0 0 1 -1