43737547 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 8 7 7 7 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 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 8 8 9 9 10 11 12 12 12 14 15 15 15 16 16 17 17 17 18 18 19 19 20 13 7 12 29 13 15 30 14 19 6 8 9 13 21 22 10 11 10 23 11 24 27 28 14 25 26 16 17 31 32 18 33 34 35 36 20 37 20 38 39 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 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 2 3.732 2.866 3.732 3.732 3.732 3.732 2.866 4.5981 2.866 4.5981 4.5981 2.866 4.5981 2 5.4641 2 5.4641 3.732 4.5981 3.9441 4.3426 2.3291 5.135 4.8101 5.2087 2.3291 5.135 3.1951 3.403 1.788 1.3894 6.001 1.38 2 2.62 6.001 3.1951 4.5981 -2.25 1.75 -3.75 3.75 -1.25 -2.25 0.75 -0.75 -0.75 0.25 0.25 2.25 -2.75 3.25 -4.25 3.75 -5.25 4.75 4.75 5.25 -2.8326 -2.1423 -1.06 -1.06 1.6674 2.3577 0.56 0.56 2.06 -4.06 -3.6674 -4.3577 3.44 -5.25 -5.87 -5.25 5.06 5.06 5.87 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 7 7 8 9 14 16 18 19 14 19 8 9 10 11 10 11 16 18 20 20 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 287 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 00000371E07B20000000000000000000000000000000000000003C400000000000000001C000001E00100000000C08C19E043EC092C81000A8033577540082802031022008D8A13864980860F2C09591942008609600C8C8071888808E08000000000000001000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-ethyl-2-[4-(2-pyridylmethylamino)phenyl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-ethyl-2-[4-(2-pyridinylmethylamino)phenyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-ethyl-2-[4-(pyridin-2-ylmethylamino)phenyl]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-ethyl-2-[4-(pyridin-2-ylmethylamino)phenyl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-ethyl-2-[4-(pyridin-2-ylmethylamino)phenyl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-ethyl-2-[4-(2-pyridylmethylamino)phenyl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H19N3O/c1-2-17-16(20)11-13-6-8-14(9-7-13)19-12-15-5-3-4-10-18-15/h3-10,19H,2,11-12H2,1H3,(H,17,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 TUROXBBMLJXVKD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 269.152812238 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H19N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 269.34 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCNC(=O)CC1=CC=C(C=C1)NCC2=CC=CC=N2 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCNC(=O)CC1=CC=C(C=C1)NCC2=CC=CC=N2 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 54 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 269.152812238 20 0 0 0 0 0 0 0 1 -1