69898011 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 6 6 7 7 7 7 8 8 9 9 11 12 13 13 13 14 15 15 16 16 17 17 18 10 5 10 21 11 29 30 14 17 6 9 8 13 10 14 19 20 11 22 12 23 12 24 25 26 27 15 16 28 18 31 18 32 33 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 2 1 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 5.4641 3.732 3.732 5.4641 3.732 2.866 4.5981 2.866 4.5981 4.5981 3.732 4.5981 2 5.4641 6.3301 7.1962 6.3301 7.1962 4.386 3.9875 3.1951 2.3291 5.135 5.135 2.31 1.4631 1.69 6.3301 4.269 3.1951 7.7331 6.3301 7.7331 0.405 0.405 -3.595 3.405 -0.595 -1.095 1.905 -2.095 -1.095 0.905 -2.595 -2.095 -0.595 2.405 1.905 2.405 3.905 3.405 2.4876 1.7973 0.715 -2.405 -0.785 -2.405 -0.0581 -0.285 -1.1319 1.285 -3.905 -3.905 2.095 4.525 3.715 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 8 9 11 14 15 16 17 14 17 6 9 8 11 12 12 15 16 18 18 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 282 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07320000000000000000000000000000000000000003C400000000000000001C000001E00100000000C08C19E043EC092C81000A8033577540082802031022008D8213864980820FAC0D591842008609400C8C8071888008E00008040000200000001008000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-amino-2-methyl-phenyl)-2-(2-pyridyl)acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-amino-2-methylphenyl)-2-(2-pyridinyl)acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(4-amino-2-methylphenyl)-2-pyridin-2-ylacetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-amino-2-methylphenyl)-2-pyridin-2-ylacetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-azanyl-2-methyl-phenyl)-2-pyridin-2-yl-ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-amino-2-methyl-phenyl)-2-(2-pyridyl)acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H15N3O/c1-10-8-11(15)5-6-13(10)17-14(18)9-12-4-2-3-7-16-12/h2-8H,9,15H2,1H3,(H,17,18) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YVZFQCVHLLRKDT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.3 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 CC1=C(C=CC(=C1)N)NC(=O)CC2=CC=CC=N2 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=CC(=C1)N)NC(=O)CC2=CC=CC=N2 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