56588709 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 7 7 7 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 2 2 3 3 4 4 4 5 5 5 6 6 6 7 7 9 9 9 10 10 11 11 12 13 14 14 15 15 16 16 17 17 18 18 19 19 20 21 21 22 22 23 4 7 9 8 11 12 19 5 24 25 6 26 27 8 28 29 8 10 12 30 31 13 32 13 14 15 33 16 17 18 34 21 35 22 36 20 37 20 38 39 23 40 23 41 42 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 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 7.2241 5.4641 8.0611 8.1301 8.1301 7.2241 6.3301 6.3301 7.2125 5.4641 4.5981 8.0727 4.5981 3.732 8.9444 3.732 2.866 9.8046 8.9213 9.7931 2.866 2 2 8.3392 8.741 8.741 8.3392 7.6177 6.8195 6.6032 6.9937 5.4641 4.0611 8.9516 4.269 2.866 10.3451 8.9142 10.3264 2.866 1.4631 1.4631 -0.2574 1.7772 -2.7673 0.2564 1.2981 1.8119 0.2772 1.2772 -1.2574 -0.2228 1.2772 -1.7673 0.2772 1.7772 -1.2774 2.7772 1.2772 -1.7874 -3.2772 -2.7873 3.2772 1.7772 2.7772 -0.3273 0.3625 1.192 1.8818 2.2909 2.2817 -1.1426 -1.8375 -0.8428 -0.0328 -0.6574 3.0872 0.6572 -1.4836 -3.8972 -3.1035 3.8972 1.4672 3.0872 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 7 7 10 11 12 14 14 15 16 17 18 19 21 22 8 11 12 19 8 10 13 13 15 16 17 18 21 22 20 20 23 23 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 366 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B00000000000000000000000000000000000000003C58B1000000000000B1F000001C00000000000C08C11E043CC093081000A0033467440082802031122008D8203874980860E2C09191942008608000C8C8071080C00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-phenyl-1-(2-pyridylmethyl)-3,4-dihydro-2H-1,5-naphthyridine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-phenyl-1-(2-pyridinylmethyl)-3,4-dihydro-2H-1,5-naphthyridine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-phenyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2<I>H</I>-1,5-naphthyridine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-phenyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-1,5-naphthyridine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-phenyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-1,5-naphthyridine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-phenyl-1-(2-pyridylmethyl)-3,4-dihydro-2H-1,5-naphthyridine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H19N3/c1-2-7-16(8-3-1)18-11-12-20-19(22-18)10-6-14-23(20)15-17-9-4-5-13-21-17/h1-5,7-9,11-13H,6,10,14-15H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 QSMBPDJUDMAYRS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 301.157897619 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H19N3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 301.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC2=C(C=CC(=N2)C3=CC=CC=C3)N(C1)CC4=CC=CC=N4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC2=C(C=CC(=N2)C3=CC=CC=C3)N(C1)CC4=CC=CC=N4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 29 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 301.157897619 23 0 0 0 0 0 0 0 1 -1