69778892 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 8 7 7 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 2 2 3 3 3 4 4 4 4 5 5 6 7 7 8 8 9 9 11 11 12 12 13 13 14 14 15 15 16 17 17 18 10 6 17 10 31 32 5 6 19 20 7 10 9 8 21 11 12 13 22 14 23 15 24 18 25 16 26 16 27 28 18 29 30 2 1 2 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 5 4 10 7 21 8 2 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 5.4641 3.732 6.3301 4.5981 4.5981 3.732 3.732 3.732 2.866 5.4641 2.866 4.5981 2 2.866 4.5981 3.732 2.866 2 5.2087 4.8101 3.1951 2.866 2.3291 5.135 1.4631 2.3291 5.135 3.732 2.866 1.4631 6.8671 6.3301 -1.25 2.75 0.25 1.25 0.25 1.75 -0.25 -1.25 1.25 -0.25 -1.75 -1.75 1.75 -2.75 -2.75 -3.25 3.25 2.75 1.1423 1.8326 0.06 0.63 -1.44 -1.44 1.44 -3.06 -3.06 -3.87 3.87 3.06 -0.06 0.87 8 8 8 8 8 8 8 8 8 8 8 8 2 2 6 8 8 9 11 12 13 14 15 17 6 17 9 11 12 13 14 15 18 16 16 18 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 306 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 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 00000371C07320000000000000000000000000000000000000003C400000000000000001C000001E00100000000C08C19E043C8092481000A8033577540082802031022008D8213864D80820F2C09191842008608000C8C9871C88808E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (Z)-3-phenyl-2-(2-pyridylmethyl)prop-2-enamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (Z)-3-phenyl-2-(2-pyridinylmethyl)-2-propenamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (<I>Z</I>)-3-phenyl-2-(pyridin-2-ylmethyl)prop-2-enamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (Z)-3-phenyl-2-(pyridin-2-ylmethyl)prop-2-enamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (Z)-3-phenyl-2-(pyridin-2-ylmethyl)prop-2-enamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (Z)-3-phenyl-2-(2-pyridylmethyl)acrylamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H14N2O/c16-15(18)13(10-12-6-2-1-3-7-12)11-14-8-4-5-9-17-14/h1-10H,11H2,(H2,16,18)/b13-10- InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KNOFXAVETOWESM-RAXLEYEMSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.110613074 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H14N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.28 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C=C(CC2=CC=CC=N2)C(=O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)/C=C(/CC2=CC=CC=N2)\C(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 56 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.110613074 18 0 0 0 1 1 0 0 1 -1