67522990 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 44 45 46 47 48 49 50 51 8 8 7 7 6 6 6 6 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 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 10 11 12 13 13 14 14 14 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 24 24 25 25 25 26 26 27 10 15 5 8 10 11 15 39 6 28 29 7 30 31 14 32 33 9 34 12 13 11 12 35 16 17 36 37 38 18 20 40 21 41 19 22 24 25 23 42 23 43 26 44 45 27 46 47 48 49 27 50 51 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 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 43 44 45 46 47 48 49 50 51 4.5981 5.4641 6.3301 4.5981 6.3301 7.1962 7.1962 7.1962 7.1962 5.4641 5.4641 6.3301 8.0622 8.0622 4.5981 8.0622 8.9282 3.732 3.732 8.9282 9.7942 2.866 9.7942 2.866 4.5981 2 2 5.7196 6.1181 7.8067 7.4082 6.5856 6.9841 7.7331 6.3301 7.7522 8.5991 8.3722 4.0611 7.5252 8.9282 8.9282 10.3312 2.866 10.3312 2.866 4.9081 5.135 4.2881 1.4631 1.4631 -1 2.5 -1 1 -2 -2.5 -3.5 -0.5 0.5 -0.5 0.5 1 1 -4 2 2 0.5 2.5 3.5 2.5 1 2 2 4 4 2.5 3.5 -1.8923 -2.5826 -2.6077 -1.9174 -3.3923 -4.0826 -0.81 1.62 -4.5369 -4.31 -3.4631 0.69 2.31 -0.12 3.12 0.69 1.38 2.31 4.62 3.4631 4.31 4.5369 2.19 3.81 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 8 9 10 11 13 13 16 17 18 18 19 20 21 22 24 26 8 10 9 12 11 12 16 17 20 21 19 22 24 23 23 26 27 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 602 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B3000000000000000000000000000000000000000306080000000000000014000001E00100000000C08C19804320083C000008802255650008200002402000888018804C80860328095319421086086008889871888808E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1-butyl-2-oxo-5-phenyl-3-pyridyl)-2-methyl-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1-butyl-2-oxo-5-phenyl-3-pyridinyl)-2-methylbenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(1-butyl-2-oxo-5-phenylpyridin-3-yl)-2-methylbenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1-butyl-2-oxo-5-phenylpyridin-3-yl)-2-methylbenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1-butyl-2-oxidanylidene-5-phenyl-pyridin-3-yl)-2-methyl-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1-butyl-2-keto-5-phenyl-3-pyridyl)-2-methyl-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H24N2O2/c1-3-4-14-25-16-19(18-11-6-5-7-12-18)15-21(23(25)27)24-22(26)20-13-9-8-10-17(20)2/h5-13,15-16H,3-4,14H2,1-2H3,(H,24,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RIPZSLIOYJJTEO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 360.183778013 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H24N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 360.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCN1C=C(C=C(C1=O)NC(=O)C2=CC=CC=C2C)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCN1C=C(C=C(C1=O)NC(=O)C2=CC=CC=C2C)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 49.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 360.183778013 27 0 0 0 0 0 0 0 1 -1