49792722 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 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 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 4 5 5 5 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 23 24 24 25 26 26 27 27 28 30 31 31 31 8 11 13 29 30 13 18 38 11 17 29 51 52 9 12 13 10 32 33 11 14 34 35 36 15 16 19 20 17 37 39 23 24 21 40 22 41 25 29 25 42 26 43 27 44 45 28 30 28 46 47 31 48 49 50 1 1 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 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 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 52 4.6783 6.9844 5.4641 6.4618 5.9664 2.866 4.5981 5.2619 4.6783 3.732 3.732 6.0709 6.0709 2.866 2.866 2 2 6.7754 3.732 2 3.732 2 6.6709 7.6889 2.866 7.4799 8.498 8.3934 4.5981 7.3754 8.1844 5.2156 4.4272 6.4353 6.5725 5.7065 1.4631 5.4 1.4631 4.269 1.4631 1.4631 6.1045 7.7537 2.866 9.0643 8.895 7.8199 8.686 8.5488 5.135 4.0611 -0.7924 -0.1687 3.5124 -5.1413 -1.57 -0.9876 5.0124 0.0124 0.8171 0.5124 -0.4876 0.6001 -0.5754 1.0124 2.0124 0.5124 -0.4876 -2.1577 2.5124 2.5124 3.5124 3.5124 -3.1523 -1.751 4.0124 -3.74 -2.3388 -3.3333 4.0124 -4.7346 -5.3224 1.1263 1.384 0.0985 0.9646 1.1017 0.8224 -1.8221 -0.7976 2.2024 2.2024 3.8224 -3.4044 -1.1344 4.6324 -2.0866 -3.6977 -5.8239 -5.6868 -4.8208 5.3224 5.3224 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 8 10 10 14 15 15 16 18 18 19 20 21 22 23 24 26 27 11 17 12 11 14 16 19 20 17 23 24 21 22 25 25 26 27 28 28 0 Compound Canonicalized 5 2010.09.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 713 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 00000371E07B38000000000000000000000000000001200000003C608000000000005801D000001E00100000000C4CC19A043EC492C81400A802B577540282882035222008D8217C6CD80E2672C4B59F8F3928E4D411D8E987BCDDF28E80000240000000000000048000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-acetylphenyl)-4-(3-carbamoylphenyl)-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 N-(3-acetylphenyl)-4-(3-carbamoylphenyl)-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 <I>N</I>-(3-acetylphenyl)-4-(3-carbamoylphenyl)-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 N-(3-acetylphenyl)-4-(3-carbamoylphenyl)-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-(3-ethanoylphenyl)-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 N-(3-acetylphenyl)-4-(3-carbamoylphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C24H21N3O4/c1-14(28)15-5-4-8-18(12-15)27-23(30)24(2)13-20-19(9-10-26-22(20)31-24)16-6-3-7-17(11-16)21(25)29/h3-12H,13H2,1-2H3,(H2,25,29)(H,27,30) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LCIDTBKYJAHBOD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 415.15320616 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C24H21N3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 415.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)C1=CC(=CC=C1)NC(=O)C2(CC3=C(C=CN=C3O2)C4=CC(=CC=C4)C(=O)N)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)C1=CC(=CC=C1)NC(=O)C2(CC3=C(C=CN=C3O2)C4=CC(=CC=C4)C(=O)N)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 111 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 415.15320616 31 1 0 1 0 0 0 0 1 -1