59673257 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 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 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 6 6 6 7 8 8 9 9 10 10 10 11 11 11 13 13 13 14 14 15 16 16 17 17 18 19 20 21 21 22 22 23 23 24 25 25 25 12 7 12 31 18 24 5 6 26 27 7 8 10 28 29 9 14 30 15 32 33 34 35 12 16 17 18 19 20 15 36 37 19 38 20 39 21 40 41 22 42 23 25 24 43 44 45 46 47 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 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 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 2.866 4.5981 4.5981 6.3301 5.4641 7.1962 4.5981 5.4641 3.732 8.0622 3.732 3.732 3.732 4.5981 3.732 4.5981 2.866 3.732 4.5981 2.866 2.866 2.866 3.732 4.5981 2 5.9316 6.7287 7.5947 6.7976 6.001 5.135 3.1951 7.7522 8.5991 8.3722 4.5981 3.1951 5.135 2.3291 5.135 2.3291 2.3291 3.732 5.135 1.69 1.4631 2.31 1.75 1.75 -3.25 2.75 3.25 3.25 2.75 4.25 3.25 2.75 0.25 1.25 -1.75 4.75 4.25 -0.25 -0.25 -2.75 -1.25 -1.25 -3.25 -4.25 -4.75 -4.25 -4.75 2.275 2.275 3.725 3.725 4.56 1.44 2.94 2.2131 2.44 3.2869 5.37 4.56 0.06 0.06 -1.56 -1.56 -2.94 -5.37 -4.56 -4.2131 -5.06 -5.2869 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 5 5 7 8 9 11 11 13 13 14 16 17 18 21 22 23 18 24 7 8 9 14 15 16 17 19 20 15 19 20 21 22 23 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 416 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B20000000000000000000000000000000000000003C608000000000000001D000001E00100000000C08C19E043EC092C81000A8033577540082802035022008D8213864D80820F2C09591842108609400C8C9871888C08E40000000000200008000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-methyl-2-pyridyl)-N-(2-propylphenyl)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-methyl-2-pyridinyl)-N-(2-propylphenyl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-methylpyridin-2-yl)-<I>N</I>-(2-propylphenyl)benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-methylpyridin-2-yl)-N-(2-propylphenyl)benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-methylpyridin-2-yl)-N-(2-propylphenyl)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-methyl-2-pyridyl)-N-(2-propylphenyl)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H22N2O/c1-3-6-17-7-4-5-8-20(17)24-22(25)19-11-9-18(10-12-19)21-15-16(2)13-14-23-21/h4-5,7-15H,3,6H2,1-2H3,(H,24,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZGDMACQKEUIYSH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 330.173213330 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H22N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 330.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C3=NC=CC(=C3)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C3=NC=CC(=C3)C 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 2021.10.14 330.173213330 25 0 0 0 0 0 0 0 1 -1