2101252 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 8 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 1 1 2 2 2 3 3 4 4 4 4 5 5 6 7 7 8 8 9 9 10 10 11 11 12 12 13 14 14 15 15 16 17 18 19 19 20 20 21 21 22 16 6 16 27 18 21 5 7 23 24 6 8 9 10 11 12 25 13 26 14 28 15 29 13 30 31 17 32 17 33 18 34 19 20 35 22 36 22 38 37 2 1 1 1 1 2 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 2 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 8.0622 6.3301 6.3301 4.5981 5.4641 6.3301 3.732 5.4641 7.1962 2.866 3.732 6.3301 7.1962 2 2.866 7.1962 2 7.1962 8.0622 8.0622 6.3301 7.1962 4.9966 4.1996 4.9272 7.7331 5.7932 2.866 4.269 6.3301 7.7331 1.4631 2.866 1.4631 8.5991 8.5991 7.1962 5.7932 -0.25 -0.25 1.75 -1.25 -1.75 -1.25 -1.75 -2.75 -1.75 -1.25 -2.75 -3.25 -2.75 -1.75 -3.25 0.25 -2.75 1.25 1.75 2.75 2.75 3.25 -0.7751 -0.7751 -3.06 -1.44 0.06 -0.63 -3.06 -3.87 -3.06 -1.44 -3.87 -3.06 1.44 3.06 3.87 3.06 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 5 5 6 7 7 8 9 10 11 12 14 15 18 19 20 21 18 21 6 8 9 10 11 12 13 14 15 13 17 17 19 20 22 22 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 351 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 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 00000371E07B20000000000000000000000000000000000000003C608000000000000001D000001E00100000000C08C19E043CC092C81000A8033577540082802037022008D821B864D80860F2C095B1942108609400C8C9871888C00E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-benzylphenyl)pyridine-2-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(phenylmethyl)phenyl]-2-pyridinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(2-benzylphenyl)pyridine-2-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-benzylphenyl)pyridine-2-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(phenylmethyl)phenyl]pyridine-2-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-benzylphenyl)picolinamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H16N2O/c22-19(18-12-6-7-13-20-18)21-17-11-5-4-10-16(17)14-15-8-2-1-3-9-15/h1-13H,14H2,(H,21,22) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GENWIUDEDVMICC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.126263138 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H16N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)C3=CC=CC=N3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)C3=CC=CC=N3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 42 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.126263138 22 0 0 0 0 0 0 0 1 -1