823599 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 8 7 7 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 2 2 2 3 3 4 4 4 4 5 5 6 6 6 8 9 9 10 10 11 11 12 12 13 13 14 15 15 16 16 17 7 6 7 22 8 16 5 7 18 19 9 10 8 20 21 11 12 23 13 24 15 25 14 26 14 27 28 17 29 17 30 31 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 2 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 5.4641 6.3301 8.9282 4.5981 3.732 7.1962 5.4641 8.0622 3.732 2.866 8.0622 2.866 2 2 8.9282 9.7942 9.7942 4.9966 4.1996 6.7976 7.5947 6.3301 4.269 2.866 7.5252 2.866 1.4631 1.4631 8.9282 10.3312 10.3312 -1.25 0.25 -0.25 0.25 -0.25 -0.25 -0.25 0.25 -1.25 0.25 1.25 -1.75 -0.25 -1.25 1.75 0.25 1.25 0.7249 0.7249 -0.7249 -0.7249 0.87 -1.56 0.87 1.56 -2.37 0.06 -1.56 2.37 -0.06 1.56 8 8 8 8 8 8 8 8 8 8 8 8 3 3 5 5 8 9 10 11 12 13 15 16 8 16 9 10 11 12 13 15 14 14 17 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 236 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07320000000000000000000000000000000000000003C400000000000000001C000001E00100000000C08C19E043C8092C81000A8033577540082802031022008D8A13864980860F2C09591942008609600C8C8071888808E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-N-(2-pyridylmethyl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-N-(2-pyridinylmethyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-<I>N</I>-(pyridin-2-ylmethyl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-N-(pyridin-2-ylmethyl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-N-(pyridin-2-ylmethyl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-N-(2-pyridylmethyl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H14N2O/c17-14(10-12-6-2-1-3-7-12)16-11-13-8-4-5-9-15-13/h1-9H,10-11H2,(H,16,17) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YJSICNKSIVITMJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 226.110613074 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H14N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 226.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)CC(=O)NCC2=CC=CC=N2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)CC(=O)NCC2=CC=CC=N2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 42 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 226.110613074 17 0 0 0 0 0 0 0 1 -1