70387951 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 43 8 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 1 1 1 1 1 2 2 2 3 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 11 11 11 12 12 13 13 13 14 14 15 15 16 17 18 18 18 19 19 19 10 10 11 31 16 17 5 6 10 20 7 21 22 8 23 24 9 25 26 9 27 28 29 30 12 13 32 14 15 33 34 35 17 18 16 36 19 37 38 39 40 41 42 43 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 11 2 12 13 32 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 40 41 42 43 3.732 4.5981 3.732 5.4641 6.3301 5.4641 7.1962 6.3301 7.1962 4.5981 3.732 3.732 2.866 2.866 4.5981 4.5981 2.866 2 5.4641 5.4641 5.9316 6.7287 5.252 4.8535 7.4082 7.8067 6.7287 5.9316 7.8067 7.4082 5.135 3.732 3.176 2.3291 2.556 5.135 2.3291 2.31 1.4631 1.69 5.1541 6.001 5.7741 1.75 0.25 -3.25 1.75 1.25 2.75 1.75 3.25 2.75 1.25 -0.25 -1.25 0.25 -1.75 -1.75 -2.75 -2.75 -1.25 -3.25 1.13 0.7751 0.7751 3.3326 2.6423 1.1674 1.8577 3.725 3.725 2.6423 3.3326 -0.06 0.37 0.7869 0.56 -0.2869 -1.44 -3.06 -0.7131 -0.94 -1.7869 -3.7869 -3.56 -2.7131 8 8 3 8 8 8 8 3 3 11 12 12 14 15 16 17 13 14 15 17 16 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 299 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B20000000000000000000000000000000000000003C4000000000000000018000001E00100000000D28C19E043E8092C81000A8033577540082802031022000D8A1386498082072C09191842008609600C8C8071888008E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-(2,5-dimethyl-4-pyridyl)ethyl]cyclohexanecarboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-(2,5-dimethyl-4-pyridinyl)ethyl]cyclohexanecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[1-(2,5-dimethylpyridin-4-yl)ethyl]cyclohexanecarboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-(2,5-dimethylpyridin-4-yl)ethyl]cyclohexanecarboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-(2,5-dimethylpyridin-4-yl)ethyl]cyclohexanecarboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-(2,5-dimethyl-4-pyridyl)ethyl]cyclohexanecarboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H24N2O/c1-11-10-17-12(2)9-15(11)13(3)18-16(19)14-7-5-4-6-8-14/h9-10,13-14H,4-8H2,1-3H3,(H,18,19) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BPCCMUZAQRWAOB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 260.188863393 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H24N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 260.37 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(C=N1)C)C(C)NC(=O)C2CCCCC2 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(C=N1)C)C(C)NC(=O)C2CCCCC2 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 2021.05.07 260.188863393 19 1 0 1 0 0 0 0 1 -1