46969580 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 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 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 2 3 4 4 4 5 5 5 6 6 6 7 7 8 8 8 8 9 9 9 10 10 10 11 11 12 12 13 14 14 15 15 16 16 17 17 18 18 19 20 21 21 21 23 24 25 25 26 27 27 27 28 28 28 13 14 15 22 11 12 13 18 22 45 23 27 28 23 26 9 10 29 30 11 31 32 12 33 34 35 36 37 38 14 39 40 16 17 19 41 20 42 19 20 43 44 22 24 25 24 46 26 47 48 49 50 51 52 53 54 2 1 1 2 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 2 1 1 1 2 1 2 1 1 1 1 2 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 5.4641 5.4641 3.732 7.1962 5.4641 2.866 4.5981 8.9282 8.9282 8.0622 8.0622 7.1962 6.3301 6.3301 5.4641 6.3301 4.5981 5.4641 6.3301 4.5981 4.5981 4.5981 3.732 3.732 5.4641 5.4641 2.866 2 9.5388 9.1403 9.1403 9.5388 8.4607 7.6636 7.6636 8.4607 6.9841 6.5856 6.5422 6.9407 6.8671 4.0611 6.8671 4.0611 6.001 3.1951 6.001 6.001 2.246 2.866 3.486 2.31 1.4631 1.69 4.5 2.5 -1.5 4.5 -1.5 -5 -5 5.5 4.5 6 4 5.5 4 3 1.5 1 1 -0.5 0 0 -3 -2 -4.5 -3.5 -3.5 -4.5 -6 -4.5 5.3923 6.0826 3.9174 4.6077 6.475 6.475 3.525 3.525 6.0826 5.3923 2.4174 3.1077 1.31 1.31 -0.31 -0.31 -1.81 -3.19 -3.19 -4.81 -6 -6.62 -6 -3.9631 -4.19 -5.0369 8 8 8 8 8 8 8 8 8 8 8 8 7 7 15 15 16 17 18 18 21 21 23 25 23 26 16 17 19 20 19 20 24 25 24 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 514 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 00000371E07BB0000000000000000000000000000000000000003C588000000000000001C000001E00100000000C0CE19A063FF693C81400A8023777740282882935222009D8217E6CD88E2672C4B59F873928ECD613D8E9A7B440000A00400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(dimethylamino)-N-[4-[2-oxo-2-(1-piperidyl)ethoxy]phenyl]pyridine-4-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(dimethylamino)-N-[4-[2-oxo-2-(1-piperidinyl)ethoxy]phenyl]-4-pyridinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(dimethylamino)-<I>N</I>-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pyridine-4-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(dimethylamino)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pyridine-4-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(dimethylamino)-N-[4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]pyridine-4-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(dimethylamino)-N-[4-(2-keto-2-piperidino-ethoxy)phenyl]isonicotinamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C21H26N4O3/c1-24(2)19-14-16(10-11-22-19)21(27)23-17-6-8-18(9-7-17)28-15-20(26)25-12-4-3-5-13-25/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,23,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 AEJUWSNUCNKVQW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 382.20049070 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C21H26N4O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 382.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C)C1=NC=CC(=C1)C(=O)NC2=CC=C(C=C2)OCC(=O)N3CCCCC3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C)C1=NC=CC(=C1)C(=O)NC2=CC=C(C=C2)OCC(=O)N3CCCCC3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 74.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 382.20049070 28 0 0 0 0 0 0 0 1 -1