46360658 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 52 53 54 55 56 57 58 59 60 61 62 63 64 65 8 8 8 8 7 7 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 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 1 1 1 1 1 1 2 3 3 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 9 10 10 10 11 11 11 12 12 13 13 15 16 16 17 17 18 18 19 19 20 21 21 22 22 24 24 25 25 27 27 28 29 29 30 30 30 31 31 32 32 33 34 34 34 35 35 35 14 23 26 30 28 35 12 13 15 14 17 45 15 19 23 27 53 10 11 14 36 12 37 38 13 39 40 41 42 43 44 16 18 46 21 22 20 23 20 47 48 24 49 25 50 26 51 26 52 28 29 31 32 54 34 55 56 33 57 33 58 59 60 61 62 63 64 65 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 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 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 4.5981 6.3301 2.866 5.4641 3.732 2.866 2.866 5.4641 3.732 2.866 4.5981 2.866 4.5981 3.732 3.732 4.5981 2.866 4.5981 2.866 3.732 3.732 2 5.4641 3.732 2 2.866 6.3301 6.3301 7.1962 2 7.1962 8.0622 8.0622 2 5.4641 4.269 2.654 2.2554 5.2087 4.8101 2.2554 2.654 4.8101 5.2087 2.3291 5.135 2.3291 3.732 4.269 1.4631 4.269 1.4631 4.9272 7.1962 1.3894 1.788 7.1962 8.5991 8.5991 2.62 2 1.38 4.8441 5.4641 6.0841 2.5 -3.5 6.5 -7 -1 2.5 -2.5 -5 1 0.5 0.5 -0.5 -0.5 2 -2 -2.5 3.5 -3.5 -3.5 -4 4 4 -4 5 5 5.5 -5.5 -6.5 -5 7 -7 -5.5 -6.5 8 -8 1.31 1.0826 0.3923 0.3923 1.0826 -0.3923 -1.0826 -1.0826 -0.3923 2.19 -2.19 -3.81 -4.62 3.69 3.69 5.31 5.31 -5.31 -4.38 7.1077 6.4174 -7.62 -5.19 -6.81 8 8.62 8 -8 -8.62 -8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 15 16 17 17 18 19 21 22 24 25 27 27 28 29 31 32 15 19 16 18 21 22 20 20 24 25 26 26 28 29 31 32 33 33 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 676 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB8000000000000000000000000000000000000003C788100000000000001D000001E00100000000D0CE19A063FF693C81400A8023777740082882935222009D8213F6CD88E2672C4BD9B873928ECD413D8E9A7B440000A00400000000010000080000000002000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-[(4-ethoxyphenyl)carbamoyl]-1-piperidyl]-N-(2-methoxyphenyl)pyridine-4-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-[(4-ethoxyanilino)-oxomethyl]-1-piperidinyl]-N-(2-methoxyphenyl)-4-pyridinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-<I>N</I>-(2-methoxyphenyl)pyridine-4-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-methoxyphenyl)-2-[4-(p-phenetylcarbamoyl)piperidino]isonicotinamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C27H30N4O4/c1-3-35-22-10-8-21(9-11-22)29-26(32)19-13-16-31(17-14-19)25-18-20(12-15-28-25)27(33)30-23-6-4-5-7-24(23)34-2/h4-12,15,18-19H,3,13-14,16-17H2,1-2H3,(H,29,32)(H,30,33) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MENFJLXHHHGHIB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 474.22670545 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C27H30N4O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 474.6 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=CC(=C3)C(=O)NC4=CC=CC=C4OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=CC(=C3)C(=O)NC4=CC=CC=C4OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 92.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 474.22670545 35 0 0 0 0 0 0 0 1 -1