9556721 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 5 5 6 6 6 7 7 8 9 9 10 10 11 11 12 12 13 13 14 15 15 16 16 17 17 17 18 20 20 20 21 22 22 23 23 24 25 8 17 19 4 19 37 21 24 25 7 8 9 11 12 10 13 26 14 27 15 28 16 29 14 30 31 18 34 18 35 19 32 33 36 21 22 23 38 24 39 25 40 41 42 1 1 2 1 1 1 2 2 1 1 1 2 2 1 2 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 4 -1 3 21 20 38 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 8.9282 7.1962 6.3301 5.4641 2 10.6603 10.6603 9.7942 11.5263 9.7942 9.7942 11.5263 11.5263 10.6603 9.7942 11.5263 8.0622 10.6603 7.1962 3.732 4.5981 2.866 3.732 2 2.866 12.0632 9.2573 9.2573 12.0632 12.0632 10.6603 7.6636 8.4607 9.2573 12.0632 10.6603 6.3301 4.5981 2.866 4.269 1.4631 2.866 -0.5 0.5 -1 -0.5 0.5 -0.5 0.5 -1 -1 -2 1 1 -2 -2.5 2 2 -1 2.5 -0.5 -0.5 -1 -1 0.5 -0.5 1 -0.69 -2.31 0.69 0.69 -2.31 -3.12 -1.475 -1.475 2.31 2.31 3.12 -1.62 -1.62 -1.62 0.81 -0.81 1.62 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 10 11 12 13 15 16 20 20 22 23 24 25 8 9 11 12 10 13 14 15 16 14 18 18 22 23 24 25 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 429 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000000000000003C608000000000000001D000001E00180000000C04E19A063C86926A1400A802317754029288203122201AD8207E6C980E26E2C4B19F873828E4D811C8E80790C0E00E80000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-phenylphenoxy)-N-[(E)-4-pyridylmethyleneamino]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-phenylphenoxy)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-phenylphenoxy)-<I>N</I>-[(<I>E</I>)-pyridin-4-ylmethylideneamino]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-phenylphenoxy)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-phenylphenoxy)-N-[(E)-pyridin-4-ylmethylideneamino]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-phenylphenoxy)-N-[(E)-4-pyridylmethyleneamino]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H17N3O2/c24-20(23-22-14-16-10-12-21-13-11-16)15-25-19-9-5-4-8-18(19)17-6-2-1-3-7-17/h1-14H,15H2,(H,23,24)/b22-14+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PZIRXASKSPFFPZ-HYARGMPZSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 331.132076794 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H17N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 331.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C2=CC=CC=C2OCC(=O)NN=CC3=CC=NC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C2=CC=CC=C2OCC(=O)N/N=C/C3=CC=NC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 63.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 331.132076794 25 0 0 0 1 1 0 0 1 -1