1369664 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 11 11 12 14 15 15 17 18 18 19 19 20 21 21 22 22 23 23 24 24 25 26 27 27 27 28 28 28 12 27 14 28 13 16 8 13 29 10 16 30 11 20 12 18 13 15 20 14 19 16 17 21 22 17 31 32 23 33 24 34 35 25 36 26 37 25 38 26 39 40 41 42 43 44 45 46 47 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 2 1 1 2 1 2 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 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 43 44 45 46 47 11.5263 2.866 8.9282 5.4641 9.7942 4.5981 7.1962 10.6603 8.0622 3.732 6.3301 11.5263 8.9282 2.866 7.1962 5.4641 6.3301 10.6603 3.732 8.0622 12.3923 2 11.5263 2.866 12.3923 2 12.3923 2 9.7942 4.5981 7.1962 5.7932 10.1233 4.269 8.5991 12.9292 1.4631 11.5263 2.866 12.9292 1.4631 12.0823 12.9292 12.7023 2.31 1.4631 1.69 -0.5 0.5 2 -2 0.5 -0.5 -1 1 0.5 -1 -0.5 0.5 1 -0.5 1 -1 0.5 2 -2 -0.5 1 -1 2.5 -2.5 2 -2 -1 1 -0.12 0.12 1.62 0.81 2.31 -2.31 -0.81 0.69 -0.69 3.12 -3.12 2.31 -2.31 -1.5369 -1.31 -0.4631 1.5369 1.31 0.4631 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 9 9 10 10 11 12 14 15 18 19 21 22 23 24 11 20 12 18 15 20 14 19 17 21 22 17 23 24 25 26 25 26 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 530 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B38000000000000000000000000000000000000003C608000000000000001D000001E00100000000C0CC19E063EC692C81400A8033577540082882037222008D821BF6CD80E66FAC4F5BB9531A864D411D8E9C79849001C00000000000010000000000000002000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N2,N5-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N2,N5-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-<I>N</I>,5-<I>N</I>-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N2,N5-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N,N'-bis(2-methoxyphenyl)isocinchomeronamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C21H19N3O4/c1-27-18-9-5-3-7-15(18)23-20(25)14-11-12-17(22-13-14)21(26)24-16-8-4-6-10-19(16)28-2/h3-13H,1-2H3,(H,23,25)(H,24,26) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WNICLXBTHUYDLG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 377.13755610 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C21H19N3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 377.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1NC(=O)C2=CN=C(C=C2)C(=O)NC3=CC=CC=C3OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1NC(=O)C2=CN=C(C=C2)C(=O)NC3=CC=CC=C3OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 89.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 377.13755610 28 0 0 0 0 0 0 0 1 -1