49790819 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 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 2 3 3 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 12 12 12 14 14 15 15 16 16 17 18 18 19 19 20 20 21 21 22 22 23 24 24 25 25 26 26 27 27 30 30 30 8 11 13 29 30 28 11 17 13 19 37 28 47 48 9 12 13 10 31 32 11 14 33 34 35 15 16 18 20 17 36 38 21 39 24 25 22 40 23 28 23 41 42 26 43 27 44 29 45 29 46 49 50 51 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 8 1 9 12 13 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 4.6783 6.9844 9.2024 5.4641 2.866 5.9664 4.5981 5.2619 4.6783 3.732 3.732 6.0709 6.0709 2.866 2.866 2 2 3.732 6.7754 2 3.732 2 2.866 7.6889 6.6709 8.498 7.4799 4.5981 8.3934 9.0979 5.2156 4.4272 6.4353 6.5725 5.7065 1.4631 5.4 1.4631 4.269 1.4631 1.4631 2.866 7.7537 6.1045 9.0643 7.4151 5.135 4.0611 8.4813 9.0331 9.7145 -0.9957 -0.3721 -4.1245 3.309 -1.191 -1.7733 4.809 -0.191 0.6137 0.309 -0.691 0.3968 -0.7788 0.809 1.809 0.309 -0.691 2.309 -2.3611 2.309 3.309 3.309 3.809 -1.9544 -3.3556 -2.5422 -3.9434 3.809 -3.5367 -5.119 0.9229 1.1806 -0.1048 0.7612 0.8984 0.619 -2.0255 -1.001 1.999 1.999 3.619 4.429 -1.3378 -3.6078 -2.29 -4.56 5.119 5.119 -5.0542 -5.7356 -5.1838 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 8 10 10 14 15 15 16 18 19 19 20 21 22 24 25 26 27 11 17 12 11 14 16 18 20 17 21 24 25 22 23 23 26 27 29 29 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 636 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B38000000000000000000000000000001200000003C608000000000005801D000001E00100000000C4CC19A063EC692C81400A8023577540282882035222008D8217E6CD80E2672C4B59F8F3928E4D411D8E987B8DDF28E80400200000000000080040000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(3-carbamoylphenyl)-N-(4-methoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(3-carbamoylphenyl)-N-(4-methoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(3-carbamoylphenyl)-<I>N</I>-(4-methoxyphenyl)-2-methyl-3<I>H</I>-furo[2,3-b]pyridine-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(3-carbamoylphenyl)-N-(4-methoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(3-aminocarbonylphenyl)-N-(4-methoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(3-carbamoylphenyl)-N-(4-methoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H21N3O4/c1-23(22(28)26-16-6-8-17(29-2)9-7-16)13-19-18(10-11-25-21(19)30-23)14-4-3-5-15(12-14)20(24)27/h3-12H,13H2,1-2H3,(H2,24,27)(H,26,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 GAHDPVVGLPWJML-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 403.15320616 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H21N3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 403.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1(CC2=C(C=CN=C2O1)C3=CC(=CC=C3)C(=O)N)C(=O)NC4=CC=C(C=C4)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1(CC2=C(C=CN=C2O1)C3=CC(=CC=C3)C(=O)N)C(=O)NC4=CC=C(C=C4)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 104 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 403.15320616 30 1 0 1 0 0 0 0 1 -1