67439353 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 4 4 4 5 5 6 6 6 7 7 8 8 8 9 10 10 11 11 12 12 13 13 14 15 15 16 16 17 18 19 19 19 21 22 22 23 23 24 24 25 9 11 20 7 9 13 21 37 21 25 20 40 41 8 12 19 26 27 10 14 20 15 16 14 28 17 18 29 17 30 18 31 32 33 34 35 36 22 23 38 24 39 25 42 43 1 1 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 2 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 43 5.135 4.269 4.269 8.5991 10.3312 2.5369 3.403 3.403 4.269 3.403 6.001 2.5369 7.7331 2.5369 6.001 6.8671 6.8671 7.7331 2.5369 3.403 9.4651 9.4651 10.3312 11.1972 11.1972 3.615 4.0135 2 2 5.4641 6.8671 6.8671 8.27 2.2269 2 2.8469 8.5991 8.9282 10.3312 2.5369 2 11.7341 11.7341 0.69 2.19 -0.81 -1.31 -1.31 2.19 -1.31 -2.31 0.19 0.69 0.19 -0.81 -0.81 0.19 -0.81 0.69 -1.31 0.19 -2.81 1.69 -0.81 0.19 0.69 0.19 -0.81 -2.8926 -2.2023 -1.12 0.5 -1.12 1.31 -1.93 0.5 -2.2731 -3.12 -3.3469 -1.93 0.5 1.31 2.81 1.88 0.5 -1.12 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 5 5 7 9 10 11 11 12 13 13 15 16 21 22 23 24 7 9 21 25 12 10 14 15 16 14 17 18 17 18 22 23 24 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 426 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 00000371E07BB0000000000000000000000000000000000000003C588000000000000001F000001E00100000000C0CC19E043FF692C81400A8033777740082882935222009D8213E6CD88C26FEC4FD9B8E39E8EEF013C8E9E7B8D9619C00400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6-ethyl-2-[4-(2-pyridylamino)phenoxy]pyridine-3-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6-ethyl-2-[4-(2-pyridinylamino)phenoxy]-3-pyridinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6-ethyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6-ethyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6-ethyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 6-ethyl-2-[4-(2-pyridylamino)phenoxy]nicotinamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H18N4O2/c1-2-13-8-11-16(18(20)24)19(23-13)25-15-9-6-14(7-10-15)22-17-5-3-4-12-21-17/h3-12H,2H2,1H3,(H2,20,24)(H,21,22) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RYFNCKXSKYPEDV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.14297583 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H18N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC1=NC(=C(C=C1)C(=O)N)OC2=CC=C(C=C2)NC3=CC=CC=N3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCC1=NC(=C(C=C1)C(=O)N)OC2=CC=C(C=C2)NC3=CC=CC=N3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 90.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.14297583 25 0 0 0 0 0 0 0 1 -1