69850592 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 8 8 7 7 7 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 2 3 3 3 4 4 5 5 6 6 6 6 7 7 8 8 9 10 10 11 11 12 12 13 14 15 15 16 17 17 18 18 19 19 20 21 21 22 23 23 24 7 8 16 10 16 34 9 19 22 24 7 9 25 26 27 28 11 12 15 13 14 13 29 14 30 31 32 18 33 17 21 22 20 35 20 36 37 23 38 39 24 40 41 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 2 1 2 2 1 1 1 2 1 1 1 1 1 1 1 2 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 5.4641 7.1962 5.4641 3.732 5.4641 4.5981 4.5981 5.4641 3.732 5.4641 4.5981 6.3301 4.5981 6.3301 2.866 6.3301 6.3301 2 2.866 2 7.1962 5.4641 7.1962 6.3301 4.8101 5.2087 4.386 3.9875 4.0611 6.8671 4.0611 6.8671 2.866 4.9272 1.4631 2.866 1.4631 7.7331 4.9272 7.7331 6.3301 -2 2 2 -5 5 -3.5 -2.5 -1 -4 1 -0.5 -0.5 0.5 0.5 -3.5 2.5 3.5 -4 -5.5 -5 4 4 5 5.5 -4.0826 -3.3923 -1.9174 -2.6077 -0.81 -0.81 0.81 0.81 -2.88 2.31 -3.69 -6.12 -5.31 3.69 3.69 5.31 6.12 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 8 8 9 10 10 11 12 15 17 17 18 19 21 23 9 19 22 24 11 12 15 13 14 13 14 18 21 22 20 20 23 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 383 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 00000371E07B30000000000000000000000000000000000000003C588000000000000001F000001E00100000000C0CE19E063CC692C81400A8033577540082882035222008D8213E6CD80C26FAC4F59B8639A8E6D411C8E9C7B8C1200C00400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[2-(2-pyridyl)ethoxy]phenyl]pyridine-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[2-(2-pyridinyl)ethoxy]phenyl]-3-pyridinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[4-(2-pyridin-2-ylethoxy)phenyl]pyridine-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-(2-pyridin-2-ylethoxy)phenyl]pyridine-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-(2-pyridin-2-ylethoxy)phenyl]pyridine-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[2-(2-pyridyl)ethoxy]phenyl]nicotinamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H17N3O2/c23-19(15-4-3-11-20-14-15)22-17-6-8-18(9-7-17)24-13-10-16-5-1-2-12-21-16/h1-9,11-12,14H,10,13H2,(H,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZUOAEJUXVZPAHQ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 319.132076794 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H17N3O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 319.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=NC(=C1)CCOC2=CC=C(C=C2)NC(=O)C3=CN=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=NC(=C1)CCOC2=CC=C(C=C2)NC(=O)C3=CN=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 64.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 319.132076794 24 0 0 0 0 0 0 0 1 -1