69354486 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 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 2 3 3 3 4 4 4 5 5 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 11 12 13 13 14 15 15 16 16 17 17 18 18 19 20 21 21 22 22 23 23 24 24 25 25 26 27 28 12 14 6 12 31 7 14 32 19 28 8 10 29 9 11 30 15 16 17 18 33 34 35 36 37 38 13 20 23 19 21 39 22 40 24 41 25 42 20 43 26 44 26 45 28 46 27 47 27 48 49 50 51 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 6 3 8 10 29 3 1 7 4 9 11 30 3 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 2.866 4.5981 3.732 6.3301 6.3301 2.866 6.3301 2.866 7.1962 2 5.4641 3.732 4.5981 5.4641 3.732 2 7.1962 8.0622 5.4641 4.5981 3.732 2 5.4641 8.0622 8.9282 2.866 8.9282 6.3301 2.866 6.8671 4.269 6.8671 1.69 1.4631 2.31 5.1541 4.9272 5.7741 4.269 1.4631 6.6592 8.0622 4.0611 4.269 1.4631 5.4641 8.0622 9.4651 2.866 9.4651 6.8671 0.5 -2.5 2 -2.5 -0.5 2.5 -3.5 3.5 -4 2 -4 1 0.5 -2 4 4 -5 -3.5 -1 -0.5 5 5 1 -5.5 -4 5.5 -5 0.5 1.88 -3.19 2.31 -2.19 2.5369 1.69 1.4631 -3.4631 -4.31 -4.5369 3.69 3.69 -5.31 -2.88 -0.81 5.31 5.31 1.62 -6.12 -3.69 6.12 -5.31 0.81 8 8 3 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 7 8 8 9 9 13 13 15 16 17 18 19 21 22 23 24 25 19 28 10 11 15 16 17 18 20 23 21 22 24 25 20 26 26 28 27 27 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 512 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003C608000000000000001D000001E00100000000C28C19E043E8092C81000A8033577540082802037022008D8A1B864D8086072C095B1942108609600C8C9871C8B800E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N2,N4-bis(1-phenylethyl)pyridine-2,4-dicarboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N2,N4-bis(1-phenylethyl)pyridine-2,4-dicarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-<I>N</I>,4-<I>N</I>-bis(1-phenylethyl)pyridine-2,4-dicarboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-N,4-N-bis(1-phenylethyl)pyridine-2,4-dicarboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N2,N4-bis(1-phenylethyl)pyridine-2,4-dicarboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N,N'-bis(1-phenylethyl)lutidinamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C23H23N3O2/c1-16(18-9-5-3-6-10-18)25-22(27)20-13-14-24-21(15-20)23(28)26-17(2)19-11-7-4-8-12-19/h3-17H,1-2H3,(H,25,27)(H,26,28) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QHJQIDSQDBSDMS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 373.17902698 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H23N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 373.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C1=CC=CC=C1)NC(=O)C2=CC(=NC=C2)C(=O)NC(C)C3=CC=CC=C3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C1=CC=CC=C1)NC(=O)C2=CC(=NC=C2)C(=O)NC(C)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 71.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 373.17902698 28 2 0 2 0 0 0 0 1 -1