71201915 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 8 7 7 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 1 1 1 2 2 2 3 3 4 4 4 4 5 5 5 6 6 7 7 9 9 10 10 11 11 11 12 12 13 13 14 14 15 15 15 16 17 17 18 19 19 20 21 21 21 8 8 11 26 18 20 5 6 7 22 6 8 23 24 25 9 10 12 27 13 28 14 15 29 16 30 16 31 17 18 32 33 34 35 19 36 37 20 38 21 39 40 41 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 4 5 7 6 22 2 1 5 4 8 6 23 2 1 11 2 15 14 29 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 33 34 35 36 37 38 39 40 41 2.866 3.732 3.732 5.5981 4.5981 5.0981 6.4641 3.732 6.4641 7.3301 2.866 7.3301 8.1962 2.866 2 8.1962 2 3.732 2 2.866 2.866 5.4376 4.7585 5.573 4.6231 4.269 5.9272 7.3301 2.866 7.3301 8.7331 2.31 1.4631 1.69 8.7331 1.4631 4.269 1.4631 2.246 2.866 3.486 2.567 1.067 -1.933 2.567 2.567 3.433 2.067 2.067 1.067 2.567 0.567 0.567 2.067 -0.433 1.067 1.067 -0.933 -0.933 -1.933 -2.433 -3.433 1.9681 1.9681 3.8315 3.8315 0.757 0.757 3.187 1.187 -0.053 2.377 1.6039 1.377 0.5301 0.757 -0.623 -0.623 -2.243 -3.433 -4.053 -3.433 8 8 6 5 8 8 8 8 6 8 8 8 8 8 8 3 3 4 5 7 7 9 10 11 12 13 14 14 17 19 18 20 7 8 9 10 12 13 2 16 16 17 18 19 20 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 364 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 00000371E07B20000000000000000000000018000000000000003C400000000000000001C000001E00100000000D28C19E043E8092C81000A8033577540082802031022008D8A13864980820F2C0D191842008609600C8C8071888C08E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (1S,2S)-N-[(1S)-1-(6-methyl-3-pyridyl)ethyl]-2-phenyl-cyclopropanecarboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (1S,2S)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]-2-phenyl-1-cyclopropanecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (1<I>S</I>,2<I>S</I>)-<I>N</I>-[(1<I>S</I>)-1-(6-methylpyridin-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (1S,2S)-N-[(1S)-1-(6-methylpyridin-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (1S,2S)-N-[(1S)-1-(6-methylpyridin-3-yl)ethyl]-2-phenyl-cyclopropane-1-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (1S,2S)-N-[(1S)-1-(6-methyl-3-pyridyl)ethyl]-2-phenyl-cyclopropanecarboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H20N2O/c1-12-8-9-15(11-19-12)13(2)20-18(21)17-10-16(17)14-6-4-3-5-7-14/h3-9,11,13,16-17H,10H2,1-2H3,(H,20,21)/t13-,16+,17-/m0/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ADXMAIIXBIADAS-XKQJLSEDSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 280.157563266 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H20N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 280.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=NC=C(C=C1)C(C)NC(=O)C2CC2C3=CC=CC=C3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=NC=C(C=C1)[C@H](C)NC(=O)[C@H]2C[C@@H]2C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 42 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 280.157563266 21 3 3 0 0 0 0 0 1 -1