16796073 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 8 7 7 7 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 2 2 2 3 3 3 4 4 5 5 5 5 6 6 8 9 9 9 10 10 11 12 12 13 13 14 15 15 16 16 17 17 18 7 7 9 23 8 29 30 11 17 6 7 19 20 8 10 12 11 21 22 13 24 15 14 25 14 26 27 16 28 18 31 18 32 33 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 2 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 6.001 5.135 2.5369 6.8671 4.269 4.269 5.135 3.403 6.001 5.135 6.001 3.403 5.135 4.269 5.135 5.135 6.8671 6.001 4.0569 3.6584 6.2131 6.6116 4.5981 5.672 2.866 5.672 4.269 4.5981 2 2.5369 4.5981 7.404 6.001 -1 0.5 -2 2.5 -1 -2 -0.5 -2.5 1 -2.5 2 -3.5 -3.5 -4 2.5 3.5 3.5 4 -0.4174 -1.1077 0.4174 1.1077 0.81 -2.19 -3.81 -3.81 -4.62 2.19 -2.31 -1.38 3.81 3.81 4.62 8 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 8 10 11 12 13 15 16 17 11 17 8 10 12 13 15 14 14 16 18 18 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 270 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 00000371C07320000000000000000000000000000000000000003C400000000000000001C000001E00100000000C08C19E043CC092C81000A8033577540082802031022008D8A13864980860F2C09591942008609600C8C8071C88808E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-aminophenyl)-N-(2-pyridylmethyl)acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-aminophenyl)-N-(2-pyridinylmethyl)acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-aminophenyl)-<I>N</I>-(pyridin-2-ylmethyl)acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-aminophenyl)-N-(pyridin-2-ylmethyl)acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-aminophenyl)-N-(pyridin-2-ylmethyl)ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-aminophenyl)-N-(2-pyridylmethyl)acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H15N3O/c15-13-7-2-1-5-11(13)9-14(18)17-10-12-6-3-4-8-16-12/h1-8H,9-10,15H2,(H,17,18) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YCXQKRGDFGQQSM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 241.121512110 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H15N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 241.29 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)CC(=O)NCC2=CC=CC=N2)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)CC(=O)NCC2=CC=CC=N2)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 68 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 241.121512110 18 0 0 0 0 0 0 0 1 -1