69724015 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 9 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 2 3 3 3 4 4 5 5 5 6 7 7 7 7 8 8 9 9 10 10 10 11 12 13 13 14 14 15 15 15 16 16 17 20 20 21 21 22 22 23 23 24 24 25 18 9 10 33 12 17 18 20 38 19 8 9 26 27 11 12 28 29 11 30 31 32 13 14 19 15 16 18 34 35 17 36 37 21 22 23 39 24 40 25 41 25 42 1 2 1 1 1 2 1 1 1 1 3 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 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 2.866 4.5981 5.4641 6.3301 2.866 2.866 6.3301 5.4641 6.3301 4.5981 4.5981 5.4641 4.5981 4.5981 3.732 5.4641 6.3301 3.732 3.732 2.866 2 3.732 2 3.732 2.866 6.9407 6.5422 6.5422 6.9407 3.9875 4.386 4.0611 5.4641 3.1215 3.52 5.4641 6.8671 2.3291 1.4631 4.269 1.4631 4.269 5.56 1.56 -4.94 -1.44 1.56 -2.44 -3.44 -2.94 -4.44 -4.44 -3.44 -1.94 -1.44 -0.44 0.06 0.06 -0.44 1.06 -1.94 2.56 3.06 3.06 4.06 4.06 4.56 -3.5477 -2.8574 -5.0226 -4.3323 -4.3323 -5.0226 -3.13 -5.56 0.1677 -0.5226 0.68 -0.13 1.25 2.75 2.75 4.37 4.37 8 8 8 8 8 8 8 8 8 8 8 8 4 4 12 13 14 16 20 20 21 22 23 24 12 17 13 14 16 17 21 22 23 24 25 25 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 547 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BA1000000000000000000000000000000000000003C408000000000000001C000001F00100000000C08C19E0C3CC092C81000B80735775400A2802031022008D8A138649808A072C09591842008609400C8C80F1889C09E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-cyano-2-(1,2,3,6-tetrahydropyridin-4-yl)-4-pyridyl]-N-(4-fluorophenyl)acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-cyano-2-(1,2,3,6-tetrahydropyridin-4-yl)-4-pyridinyl]-N-(4-fluorophenyl)acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-cyano-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-4-yl]-<I>N</I>-(4-fluorophenyl)acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-cyano-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-4-yl]-N-(4-fluorophenyl)acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-cyano-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-4-yl]-N-(4-fluorophenyl)ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-cyano-2-(1,2,3,6-tetrahydropyridin-4-yl)-4-pyridyl]-N-(4-fluorophenyl)acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H17FN4O/c20-15-1-3-16(4-2-15)24-18(25)11-14-7-10-23-19(17(14)12-21)13-5-8-22-9-6-13/h1-5,7,10,22H,6,8-9,11H2,(H,24,25) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 AKSNYTAXRHCAKC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 336.13863934 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H17FN4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 336.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CNCC=C1C2=NC=CC(=C2C#N)CC(=O)NC3=CC=C(C=C3)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CNCC=C1C2=NC=CC(=C2C#N)CC(=O)NC3=CC=C(C=C3)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 77.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 336.13863934 25 0 0 0 0 0 0 0 1 -1