45505007 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 9 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 2 3 4 4 4 5 5 5 6 6 7 7 8 9 9 10 10 11 11 11 13 13 14 15 16 16 17 17 18 19 20 20 21 22 22 23 23 24 24 25 19 12 15 7 12 26 8 15 29 18 25 8 9 10 13 27 14 28 12 16 17 14 30 31 18 19 32 20 33 22 21 21 34 35 23 36 24 37 25 38 39 1 2 2 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 2 1 1 1 1 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 9.7942 8.9282 4.5981 7.1962 5.4641 3.732 7.1962 6.3301 8.0622 6.3301 8.0622 8.0622 8.0622 7.1962 4.5981 8.9282 7.1962 3.732 8.9282 7.1962 8.0622 2.866 2 2 2.866 6.6592 8.5991 5.7932 5.4641 8.5991 7.1962 9.4651 6.6592 6.6592 8.0622 2.866 1.4631 1.4631 2.866 3.25 -0.25 -2.75 -0.25 -1.25 -0.25 -1.25 -1.75 -1.75 -2.75 1.25 0.25 -2.75 -3.25 -1.75 1.75 1.75 -1.25 2.75 2.75 3.25 -1.75 -1.25 -0.25 0.25 0.06 -1.44 -3.06 -0.63 -3.06 -3.87 1.44 1.44 3.06 3.87 -2.37 -1.56 0.06 0.87 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 8 9 10 11 11 13 16 17 18 19 20 22 23 24 18 25 8 9 10 13 14 16 17 14 19 20 22 21 21 23 24 25 0 Compound Canonicalized 5 2010.05.05 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 474 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B31000000000000000000000000000000000000003C608000000000000001D000001F00100000000C08C19E0C3CC092C81000A8033577540082802037022008D821B874D80860F2C095B1942108609400C8C9871888008E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[(3-fluorobenzoyl)amino]phenyl]pyridine-2-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[[(3-fluorophenyl)-oxomethyl]amino]phenyl]-2-pyridinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-[(3-fluorobenzoyl)amino]phenyl]pyridine-2-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[(3-fluorobenzoyl)amino]phenyl]pyridine-2-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[(3-fluorophenyl)carbonylamino]phenyl]pyridine-2-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[(3-fluorobenzoyl)amino]phenyl]picolinamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H14FN3O2/c20-14-7-5-6-13(12-14)18(24)22-15-8-1-2-9-16(15)23-19(25)17-10-3-4-11-21-17/h1-12H,(H,22,24)(H,23,25) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OXRYSLQBZYBIAC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 335.10700486 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H14FN3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 335.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)F)NC(=O)C3=CC=CC=N3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)F)NC(=O)C3=CC=CC=N3 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 2021.05.07 335.10700486 25 0 0 0 0 0 0 0 1 -1