70233633 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 9 8 8 7 7 7 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 4 4 4 5 5 5 6 6 7 7 7 7 8 8 9 9 9 10 10 11 12 13 13 14 16 17 18 18 19 19 19 20 21 21 21 22 23 23 23 12 15 16 11 16 31 15 21 32 17 22 8 9 24 25 10 12 15 26 27 11 28 13 14 14 29 30 17 18 20 33 20 22 23 34 35 36 37 38 39 40 41 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 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 37 38 39 40 41 7.1962 3.732 8.9282 7.1962 2.866 7.1962 5.4641 6.3301 4.5981 6.3301 7.1962 7.1962 8.0622 8.0622 3.732 8.0622 8.0622 8.9282 8.0622 8.9282 2 7.1962 8.0622 5.0656 5.8626 4.9966 4.1996 5.7932 8.5991 8.5991 6.6592 2.866 9.4651 9.4651 1.69 1.4631 2.31 6.6592 8.6822 8.0622 7.4422 -4.25 -4.25 -0.25 -0.25 -2.75 1.75 -3.25 -2.75 -2.75 -1.75 -1.25 -3.25 -1.75 -2.75 -3.25 0.25 1.25 1.75 3.25 2.75 -3.25 2.75 4.25 -3.725 -3.725 -2.275 -2.275 -1.44 -1.44 -3.06 0.06 -2.13 1.44 3.06 -2.7131 -3.56 -3.7869 3.06 4.25 4.87 4.25 8 8 8 8 8 8 8 8 8 8 8 8 6 6 8 8 10 11 12 13 17 18 19 19 17 22 10 12 11 13 14 14 18 20 20 22 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 419 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B31000000000000000000000000000000000000003C400000000000000001C000001F00100000000C08C19E0C3EC092C81000A8033577540082802037022008D8A1B864D80860F2C095B1942108609600C8C9871888808E00000040000000000000008000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-fluoro-3-[3-(methylamino)-3-oxo-propyl]phenyl]-5-methyl-pyridine-2-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-fluoro-3-[3-(methylamino)-3-oxopropyl]phenyl]-5-methyl-2-pyridinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[4-fluoro-3-[3-(methylamino)-3-oxopropyl]phenyl]-5-methylpyridine-2-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-fluoro-3-[3-(methylamino)-3-oxopropyl]phenyl]-5-methylpyridine-2-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-fluoranyl-3-[3-(methylamino)-3-oxidanylidene-propyl]phenyl]-5-methyl-pyridine-2-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-fluoro-3-[3-keto-3-(methylamino)propyl]phenyl]-5-methyl-picolinamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H18FN3O2/c1-11-3-7-15(20-10-11)17(23)21-13-5-6-14(18)12(9-13)4-8-16(22)19-2/h3,5-7,9-10H,4,8H2,1-2H3,(H,19,22)(H,21,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SDSPGAXEGDLXIA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 315.13830499 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H18FN3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 315.34 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CN=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)CCC(=O)NC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CN=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)CCC(=O)NC 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 2021.05.07 315.13830499 23 0 0 0 0 0 0 0 1 -1