68826630 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 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 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 8 9 9 9 10 10 10 11 11 12 13 13 15 15 16 16 17 18 18 19 19 20 20 21 21 22 23 23 24 25 25 26 12 14 6 12 38 13 16 19 24 26 7 8 27 9 28 29 10 30 31 11 32 33 11 34 35 36 37 14 14 15 17 18 17 20 39 23 24 21 40 22 41 22 42 43 25 44 45 26 46 47 2 2 1 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 2 1 1 2 1 1 1 2 2 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 3.3426 5.9674 4.6318 3.732 7.7619 3.9639 2.9854 4.2746 2.3176 3.6067 2.6282 4.3211 4.6783 4.9889 5.2619 3.732 4.6783 6.2619 2.866 2.866 2 2 6.7619 6.7619 7.7619 8.2619 3.7713 3.2167 2.459 4.6571 4.8215 1.935 1.7706 3.3755 4.1331 2.0144 2.6077 5.2384 4.8709 2.866 2.866 1.4631 1.4631 6.4519 6.4519 8.0719 8.8819 0.1513 0.4831 -1.0055 1.9446 1.5786 -1.7498 -1.5436 -2.7003 -2.2879 -3.4446 -3.2384 -0.055 1.6399 0.6893 2.4446 2.9446 3.2493 2.4446 1.4446 3.4446 1.9446 2.9446 3.3106 1.5786 3.3106 2.4446 -1.1604 -0.9683 -1.2159 -3.1882 -2.4083 -1.8 -2.5799 -4.0198 -3.7722 -3.3257 -3.858 -1.1333 3.8386 0.8246 4.0646 1.6346 3.2546 3.8476 1.0416 3.8476 2.4446 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 4 5 5 13 15 16 16 18 18 19 20 21 23 25 13 16 19 24 26 15 17 17 20 23 24 21 22 22 25 26 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 517 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 1 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 00000371E07B30000000000000000000000000000001600000003C588000000000005801F800001E00100000000C2CC19E043CC0B3CC1800A803B577540082802037022008D8A1B864D80820FAC0D5B1842108609600C8C9071889C09E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclohexyl-2-oxo-2-[2-(3-pyridyl)indolizin-3-yl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclohexyl-2-oxo-2-[2-(3-pyridinyl)-3-indolizinyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-cyclohexyl-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclohexyl-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclohexyl-2-oxidanylidene-2-(2-pyridin-3-ylindolizin-3-yl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclohexyl-2-keto-2-[2-(3-pyridyl)indolizin-3-yl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H21N3O2/c25-20(21(26)23-16-8-2-1-3-9-16)19-18(15-7-6-11-22-14-15)13-17-10-4-5-12-24(17)19/h4-7,10-14,16H,1-3,8-9H2,(H,23,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NVGJIFLDAHHHLM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 347.16337692 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H21N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 347.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC(CC1)NC(=O)C(=O)C2=C(C=C3N2C=CC=C3)C4=CN=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC(CC1)NC(=O)C(=O)C2=C(C=C3N2C=CC=C3)C4=CN=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 63.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 347.16337692 26 0 0 0 0 0 0 0 1 -1