67882923 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 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 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 2 3 4 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 13 13 14 14 15 16 16 17 17 18 18 19 19 20 21 22 22 24 24 25 25 26 27 27 27 14 18 21 27 23 11 12 13 8 15 39 15 19 23 49 50 9 10 28 11 29 30 12 31 32 33 34 35 36 14 37 38 40 41 16 17 42 20 23 21 22 20 43 44 24 25 45 26 46 26 47 48 51 52 53 1 1 1 1 2 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 1 1 1 1 2 1 1 1 1 2 2 1 1 2 1 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 48 49 50 51 52 53 8.9282 7.1962 2 7.1962 4.5981 5.4641 2.866 5.4641 6.3301 5.4641 7.1962 6.3301 8.0622 8.0622 4.5981 3.732 3.732 8.9282 5.4641 4.5981 8.0622 9.7942 2.866 8.0622 9.7942 8.9282 6.3301 5.4641 6.7287 5.9316 4.8535 5.252 7.8067 7.4082 5.9316 6.7287 8.6728 8.2742 4.0611 7.4516 7.8501 3.1951 6.001 4.5981 10.3312 7.5252 10.3312 8.9282 2.3291 3.403 6.0201 5.7932 6.6401 -2.405 -3.405 3.595 -0.405 1.095 2.595 5.095 0.595 1.095 -0.405 0.595 -0.905 -0.905 -1.905 2.095 2.595 3.595 -3.405 3.595 4.095 -3.905 -3.905 4.095 -4.905 -4.905 -5.405 -3.905 1.215 1.57 1.57 -0.2973 -0.9876 0.4873 1.1776 -1.38 -1.38 -1.0127 -0.3224 0.785 -1.7973 -2.4876 2.285 3.905 4.715 -3.595 -5.215 -5.215 -6.025 5.405 5.405 -3.3681 -4.215 -4.4419 8 8 8 8 8 8 8 8 8 8 8 8 6 6 15 16 17 18 18 19 21 22 24 25 15 19 16 17 20 21 22 20 24 25 26 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 457 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB0000000000000000000000000000000000000003C588000000000000001C000001E00100000000C2CE19A063FB693C81400A8023377740082882935222009D8A13EECD88F2672C4FD9B87392AECD013DAE9A79440000A00000000000040000000000000008000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[[1-[2-(2-methoxyphenoxy)ethyl]-4-piperidyl]amino]pyridine-4-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[[1-[2-(2-methoxyphenoxy)ethyl]-4-piperidinyl]amino]-4-pyridinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]amino]pyridine-4-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]amino]pyridine-4-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]amino]pyridine-4-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[[1-[2-(2-methoxyphenoxy)ethyl]-4-piperidyl]amino]isonicotinamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H26N4O3/c1-26-17-4-2-3-5-18(17)27-13-12-24-10-7-16(8-11-24)23-19-14-15(20(21)25)6-9-22-19/h2-6,9,14,16H,7-8,10-13H2,1H3,(H2,21,25)(H,22,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LPENAOWSEBJDPK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 370.20049070 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H26N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 370.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1OCCN2CCC(CC2)NC3=NC=CC(=C3)C(=O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1OCCN2CCC(CC2)NC3=NC=CC(=C3)C(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 89.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 370.20049070 27 0 0 0 0 0 0 0 1 -1