55206520 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 8 7 7 7 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 2 2 2 3 3 4 4 4 5 5 5 6 6 6 6 7 7 8 9 9 11 11 12 12 13 13 14 14 14 15 15 16 16 18 18 19 10 5 10 24 8 19 17 35 36 8 20 21 7 10 22 23 11 12 9 13 14 15 25 16 26 18 27 28 29 30 17 31 17 32 19 33 34 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 2 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 4.5981 3.732 5.4641 2.866 4.5981 2.866 2.866 4.5981 3.732 3.732 2 3.732 3.732 2.866 2 3.732 2.866 4.5981 5.4641 4.8101 5.2087 2.654 2.2554 3.1951 1.4631 4.269 3.1951 2.556 2.3291 3.176 1.4631 4.269 4.5981 6.001 2.3291 3.403 -0.345 1.155 3.155 -4.345 1.655 -0.345 -1.345 2.655 3.155 0.155 -1.845 -1.845 4.155 2.655 -2.845 -2.845 -3.345 4.655 4.155 1.0724 1.7627 0.2376 -0.4527 1.465 -1.535 -1.535 4.465 3.1919 2.345 2.1181 -3.155 -3.155 5.275 4.465 -4.655 -4.655 8 8 8 8 8 8 8 8 8 8 8 8 3 3 7 7 8 9 11 12 13 15 16 18 8 19 11 12 9 13 15 16 18 17 17 19 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 287 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07320000000000000000000000000000000000000003C400000000000000001C000001E00100000000C08C19E043EC092C81000A8033577540082802031022008D8A13864980860F2C09591942008609600C8C8071888808E08000000000000001000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-aminophenyl)-N-[(3-methyl-2-pyridyl)methyl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-aminophenyl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-aminophenyl)-<I>N</I>-[(3-methylpyridin-2-yl)methyl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-aminophenyl)-N-[(3-methylpyridin-2-yl)methyl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-aminophenyl)-N-[(3-methylpyridin-2-yl)methyl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-aminophenyl)-N-[(3-methyl-2-pyridyl)methyl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H17N3O/c1-11-3-2-8-17-14(11)10-18-15(19)9-12-4-6-13(16)7-5-12/h2-8H,9-10,16H2,1H3,(H,18,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OPFXEEPACVVWBX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 255.137162174 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H17N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 255.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(N=CC=C1)CNC(=O)CC2=CC=C(C=C2)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(N=CC=C1)CNC(=O)CC2=CC=C(C=C2)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 68 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 255.137162174 19 0 0 0 0 0 0 0 1 -1