43692215 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 4 4 4 5 5 5 6 6 7 7 8 9 9 9 10 10 10 11 11 12 12 13 13 14 14 15 17 17 18 18 19 20 20 20 16 5 6 22 8 18 16 20 36 8 9 21 7 11 10 12 14 23 24 25 16 26 27 13 28 15 29 15 30 17 31 32 19 33 19 34 35 37 38 39 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 5 2 8 9 21 3 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 3.732 6.3301 6.3301 2.866 7.1962 6.3301 5.4641 7.1962 8.0622 4.5981 7.1962 5.4641 7.1962 8.0622 6.3301 3.732 8.0622 6.3301 7.1962 2 6.6592 5.7932 7.7522 8.5991 8.3722 4.9966 4.1996 7.7331 4.9272 7.7331 8.5991 6.3301 8.5991 5.7932 7.1962 2.866 1.69 1.4631 2.31 -2.75 -0.25 1.75 -1.25 0.25 -1.25 -1.75 1.25 -0.25 -1.25 -1.75 -2.75 -2.75 1.75 -3.25 -1.75 2.75 2.75 3.25 -1.75 0.56 0.06 -0.7869 -0.56 0.2869 -0.7751 -0.7751 -1.44 -3.06 -3.06 1.44 -3.87 3.06 3.06 3.87 -0.63 -1.2131 -2.06 -2.2869 8 8 3 8 8 8 8 8 8 8 8 8 8 3 3 5 6 6 7 8 11 12 13 14 17 18 8 18 9 7 11 12 14 13 15 15 17 19 19 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 308 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B20000000000000000000000000000000000000003C400000000000000001C000001E00100000000C28C19E043EC092C81000A8033577540082802031022008D8A13864980860F2C09591942008609200C8C8071C88808E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-methyl-2-[2-[1-(2-pyridyl)ethylamino]phenyl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-methyl-2-[2-[1-(2-pyridinyl)ethylamino]phenyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-methyl-2-[2-(1-pyridin-2-ylethylamino)phenyl]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-methyl-2-[2-(1-pyridin-2-ylethylamino)phenyl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-methyl-2-[2-(1-pyridin-2-ylethylamino)phenyl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-methyl-2-[2-[1-(2-pyridyl)ethylamino]phenyl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H19N3O/c1-12(14-8-5-6-10-18-14)19-15-9-4-3-7-13(15)11-16(20)17-2/h3-10,12,19H,11H2,1-2H3,(H,17,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YLCLYYPHOCPXCI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2 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 CC(C1=CC=CC=N1)NC2=CC=CC=C2CC(=O)NC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C1=CC=CC=N1)NC2=CC=CC=C2CC(=O)NC 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 1 0 1 0 0 0 0 1 -1