49790865 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 8 8 8 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 2 3 4 4 5 5 5 6 6 6 6 7 7 8 8 10 10 12 12 13 13 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 24 24 25 26 27 27 27 7 9 11 26 9 14 11 15 32 7 8 28 29 11 30 9 10 12 13 16 17 14 31 33 18 19 20 34 21 35 22 36 24 37 23 38 23 39 25 26 40 25 41 42 27 43 44 45 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 2 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 7 1 6 11 30 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 4.6783 6.7619 9.2619 2.866 6.7619 4.6783 5.2619 3.732 3.732 2.866 6.2619 2.866 2 2 7.7619 3.732 2 8.2619 8.2619 3.732 2 9.2619 2.866 9.2619 9.7619 9.7619 10.7619 5.2156 4.4272 5.5436 1.4631 6.4519 1.4631 4.269 1.4631 7.9519 7.9519 4.269 1.4631 2.866 9.5719 10.3819 10.7619 11.3819 10.7619 -1.0727 0.5981 -3.732 -1.268 -1.134 0.5368 -0.2679 0.2321 -0.7679 0.7321 -0.2679 1.732 0.2321 -0.7679 -1.134 2.232 2.232 -2 -0.2679 3.232 3.232 -2 3.732 -0.2679 -1.134 -2.866 -2.866 0.846 1.1037 -0.8203 0.5421 -1.6709 -1.078 1.922 1.922 -2.5369 0.269 3.542 3.542 4.352 0.269 -1.134 -3.486 -2.866 -2.246 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 7 8 8 10 12 12 13 15 15 16 17 18 19 20 21 22 24 9 14 11 9 10 13 16 17 14 18 19 20 21 22 24 23 23 25 25 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 546 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000001200000003C608000000000005801D000001E00100000000C1CE19A063EC492C81400A802B577540282882035222008D8217C6CD80E2672C4B59F8F3928E4D411D8E987BCDDF28E80000040000000000000008000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-acetylphenyl)-4-phenyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-acetylphenyl)-4-phenyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(3-acetylphenyl)-4-phenyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-acetylphenyl)-4-phenyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-ethanoylphenyl)-4-phenyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-acetylphenyl)-4-phenyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H18N2O3/c1-14(25)16-8-5-9-17(12-16)24-21(26)20-13-19-18(10-11-23-22(19)27-20)15-6-3-2-4-7-15/h2-12,20H,13H2,1H3,(H,24,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HUNODKXGGXDFGY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.13174244 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H18N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)C1=CC(=CC=C1)NC(=O)C2CC3=C(C=CN=C3O2)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)C1=CC(=CC=C1)NC(=O)C2CC3=C(C=CN=C3O2)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 68.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.13174244 27 1 0 1 0 0 0 0 1 -1