70300494 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 8 8 7 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 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 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 12 13 13 14 14 15 15 16 17 18 19 20 20 22 22 23 23 24 24 25 25 26 27 28 28 29 16 21 8 16 33 10 21 42 13 19 18 20 26 51 52 11 12 30 10 15 19 31 32 34 35 36 37 38 39 14 17 22 23 17 40 18 41 24 43 21 25 26 44 28 45 27 46 27 47 29 48 29 49 50 2 2 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 2 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 4.5981 8.0622 3.732 8.9282 12.3923 6.3301 15.8564 2.866 10.6603 9.7942 2 2.866 12.3923 13.2583 10.6603 4.5981 11.5263 5.4641 11.5263 7.1962 8.0622 14.1244 13.2583 5.4641 7.1962 14.9904 6.3301 14.1244 14.9904 2.866 9.3957 10.1928 3.732 2.31 1.4631 1.69 2.246 2.866 3.486 10.1233 11.5263 8.9282 11.5263 14.1244 12.7214 4.9272 7.7331 6.3301 14.1244 15.5273 16.3933 15.8564 -2.25 -2.25 -0.75 -0.75 -0.75 -1.25 0.25 -1.25 -0.75 -1.25 -0.75 -2.25 0.25 0.75 0.25 -1.25 0.75 -0.75 -1.25 -0.75 -1.25 0.25 1.75 0.25 0.25 0.75 0.75 2.25 1.75 -0.63 -1.725 -1.725 -0.13 -0.2131 -0.44 -1.2869 -2.25 -2.87 -2.25 0.56 1.37 -0.13 -1.87 -0.37 2.06 0.56 0.56 1.37 2.87 2.06 0.56 -0.37 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 9 9 13 14 14 15 18 20 22 23 24 25 26 28 13 19 18 20 15 19 17 22 23 17 24 25 26 28 27 27 29 29 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 555 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 00000371E07BB0000000000000000000000000000000000000003C588000000000000001F000001E00100000000C28C19E043EC092C81000A8033577540082802037022008D8A1B864D80860F2C0D5B1942108609600C8C9871888C08E00000040000000000000008000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N2-[[6-(3-aminophenyl)-3-pyridyl]methyl]-N6-isopropyl-pyridine-2,6-dicarboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N2-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-N6-propan-2-ylpyridine-2,6-dicarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-<I>N</I>-[[6-(3-aminophenyl)pyridin-3-yl]methyl]-6-<I>N</I>-propan-2-ylpyridine-2,6-dicarboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-N-[[6-(3-aminophenyl)pyridin-3-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N2-[[6-(3-aminophenyl)pyridin-3-yl]methyl]-N6-propan-2-yl-pyridine-2,6-dicarboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[[6-(3-aminophenyl)-3-pyridyl]methyl]-N'-isopropyl-dipicolinamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C22H23N5O2/c1-14(2)26-22(29)20-8-4-7-19(27-20)21(28)25-13-15-9-10-18(24-12-15)16-5-3-6-17(23)11-16/h3-12,14H,13,23H2,1-2H3,(H,25,28)(H,26,29) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QRKWTXPTHGKROO-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 2021.05.07 389.18517499 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C22H23N5O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 389.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)NC(=O)C1=CC=CC(=N1)C(=O)NCC2=CN=C(C=C2)C3=CC(=CC=C3)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)NC(=O)C1=CC=CC(=N1)C(=O)NCC2=CN=C(C=C2)C3=CC(=CC=C3)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 110 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 389.18517499 29 0 0 0 0 0 0 0 1 -1