60301195 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 8 8 7 7 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 1 1 1 1 2 3 3 3 4 4 4 5 5 6 6 7 7 7 8 9 9 10 12 12 13 14 14 15 15 16 16 17 17 17 18 18 18 19 20 21 21 22 22 23 23 24 25 13 21 11 8 17 18 9 11 27 8 20 24 25 10 11 14 10 12 15 26 13 28 16 20 29 19 30 19 31 32 33 34 35 36 37 38 39 22 23 24 40 25 41 42 43 1 1 2 1 1 1 1 1 1 2 1 2 1 2 1 1 1 2 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 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 43 3.732 3.732 2.866 5.4641 4.5981 3.732 4.5981 3.732 5.4641 3.732 4.5981 4.5981 4.5981 5.4641 6.3301 5.4641 2.866 2 6.3301 5.4641 3.732 4.5981 2.866 4.5981 2.866 3.1951 6.001 4.0611 6.001 6.8671 5.4641 2.246 2.866 3.486 2.31 1.4631 1.69 6.8671 6.001 5.135 2.3291 5.135 2.3291 2.25 -0.75 -4.25 -0.75 -4.25 5.25 -2.25 -3.75 0.25 -2.75 -1.25 0.75 1.75 -2.75 0.75 2.25 -5.25 -3.75 1.75 -3.75 3.25 3.75 3.75 4.75 4.75 -2.44 -1.06 0.44 -2.44 0.44 2.87 -5.25 -5.87 -5.25 -3.2131 -3.44 -4.2869 2.06 -4.06 3.44 3.44 5.06 5.06 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 7 8 9 9 12 13 14 15 16 21 21 22 23 8 20 24 25 10 14 10 12 15 13 16 20 19 19 22 23 24 25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 426 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB0000000000000000000000000000000000000003C588000000000000001F000001E00100000000C0CC19A043FF693C81400A8023777740082882935222009D8213E6CD88C2672C4B59B863928EED41BC8E9A79450030A00000002000000000000000400000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(dimethylamino)-N-[3-(4-pyridyloxy)phenyl]pyridine-4-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(dimethylamino)-N-(3-pyridin-4-yloxyphenyl)-4-pyridinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(dimethylamino)-<I>N</I>-(3-pyridin-4-yloxyphenyl)pyridine-4-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(dimethylamino)-N-(3-pyridin-4-yloxyphenyl)pyridine-4-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(dimethylamino)-N-(3-pyridin-4-yloxyphenyl)pyridine-4-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(dimethylamino)-N-[3-(4-pyridyloxy)phenyl]isonicotinamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H18N4O2/c1-23(2)18-12-14(6-11-21-18)19(24)22-15-4-3-5-17(13-15)25-16-7-9-20-10-8-16/h3-13H,1-2H3,(H,22,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GPXSQJDDWAHFNF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 334.14297583 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H18N4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 334.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C)C1=NC=CC(=C1)C(=O)NC2=CC(=CC=C2)OC3=CC=NC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C)C1=NC=CC(=C1)C(=O)NC2=CC(=CC=C2)OC3=CC=NC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 67.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 334.14297583 25 0 0 0 0 0 0 0 1 -1