49795600 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 9 8 8 8 7 7 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 2 2 3 4 4 5 5 5 6 6 7 7 7 7 8 8 9 9 11 11 13 13 14 14 15 16 16 16 17 17 18 18 19 20 21 21 22 23 23 24 24 25 20 8 10 12 19 25 12 16 30 10 15 8 9 26 27 12 28 10 11 13 14 17 18 15 29 31 19 32 33 20 34 21 35 23 22 22 36 37 24 38 25 39 40 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 2 1 1 8 2 7 12 28 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 4.5981 4.6783 6.7619 9.2564 6.7619 2.866 4.6783 5.2619 3.732 3.732 2.866 6.2619 2.866 2 2 7.7619 3.732 2 8.2619 3.732 2 2.866 7.8551 8.5983 9.4643 5.2156 4.4272 5.5436 1.4631 6.4519 1.4631 8.3445 7.6542 4.269 1.4631 1.4631 2.866 7.2487 8.5335 10.0307 3.6574 -1.1474 0.5234 -2.1792 -1.2087 -1.3426 0.4621 -0.3426 0.1574 -0.8426 0.6574 -0.3426 1.6574 0.1574 -0.8426 -1.2087 2.1574 2.1574 -2.0747 3.1574 3.1574 3.6574 -2.9882 -3.6574 -3.1574 0.7713 1.029 -0.8949 0.4674 -1.7456 -1.1526 -0.9966 -0.5981 1.8474 1.8474 3.4674 4.2774 -3.1171 -4.274 -3.4095 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 8 9 9 11 13 13 14 17 18 19 20 21 23 24 19 25 10 15 12 10 11 14 17 18 15 20 21 23 22 22 24 25 0 Compound Canonicalized 5 2010.09.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 478 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 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 00000371C07B31000000000000000000000000000001224000003C400000000000005801F000001F00100000000C14E19A0E3C8492C81440A802B977D40282882035222008D8A1FE6CD80E2672C4B5BF8F3928E4D611D8E987B8DDF28E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(3-fluorophenyl)-N-(2-furylmethyl)-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 4-(3-fluorophenyl)-N-(2-furanylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(3-fluorophenyl)-<I>N</I>-(furan-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(3-fluorophenyl)-N-(2-furfuryl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H15FN2O3/c20-13-4-1-3-12(9-13)15-6-7-21-19-16(15)10-17(25-19)18(23)22-11-14-5-2-8-24-14/h1-9,17H,10-11H2,(H,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HDKOJFVPEIQYES-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 338.10667051 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H15FN2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 338.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(OC2=NC=CC(=C21)C3=CC(=CC=C3)F)C(=O)NCC4=CC=CO4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(OC2=NC=CC(=C21)C3=CC(=CC=C3)F)C(=O)NCC4=CC=CO4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 64.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 338.10667051 25 1 0 1 0 0 0 0 1 -1