70013093 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 42 43 44 8 8 8 7 7 7 7 6 6 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 3 4 4 4 5 5 6 6 6 7 7 8 9 9 10 10 11 11 11 12 14 14 15 15 16 16 18 18 19 19 20 20 21 23 23 24 24 25 25 26 27 28 28 28 13 22 28 17 8 10 12 8 21 17 23 37 26 27 9 13 14 15 16 12 13 17 29 18 30 19 31 20 32 21 33 22 34 22 35 36 24 25 26 38 27 39 40 41 42 43 44 2 1 1 2 1 1 1 1 2 1 1 1 2 1 2 1 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 2 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 42 43 44 7.1962 7.1962 5.4641 7.1962 8.9561 4.5981 2 8.0622 8.0622 7.1962 6.3301 6.3301 7.1962 8.9561 8.0622 6.3301 5.4641 9.8622 8.0622 6.3301 9.8622 7.1962 3.732 3.732 2.866 2.866 2 8.0622 5.7932 8.949 8.5991 5.7932 10.3979 8.5991 5.7932 10.3979 4.5981 4.269 2.866 2.866 1.4631 7.7522 8.5991 8.3722 3.5 -3.5 3.5 0.5 0.4653 2 3.5 1 2 -0.5 2 1 2.5 2.5347 -1 -1 2.5 2.0208 -2 -2 0.9792 -2.5 2.5 3.5 2 4 2.5 -4 0.69 3.1546 -0.69 -0.69 2.3329 -2.31 -2.31 0.6671 1.38 3.81 1.38 4.62 2.19 -4.5369 -4.31 -3.4631 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 7 7 8 9 9 10 10 11 11 14 15 16 18 19 20 23 23 24 25 8 12 8 21 26 27 9 13 14 15 16 12 13 18 19 20 21 22 22 24 25 26 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 609 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB0000000000000000000000000000000000000003C588100000000000081F000001E00100000000C0CC19A063FF693C81400A802B777740082882935222009D8213E6CD88C26FACCFDDB8435A86CD413C8E9E7B8C9008E00400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-methoxyphenyl)-4-oxo-N-(4-pyridyl)-1,8-naphthyridine-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-methoxyphenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-methoxyphenyl)-4-oxo-<I>N</I>-pyridin-4-yl-1,8-naphthyridine-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-methoxyphenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-methoxyphenyl)-4-oxidanylidene-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-keto-1-(4-methoxyphenyl)-N-(4-pyridyl)-1,8-naphthyridine-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C21H16N4O3/c1-28-16-6-4-15(5-7-16)25-13-18(19(26)17-3-2-10-23-20(17)25)21(27)24-14-8-11-22-12-9-14/h2-13H,1H3,(H,22,24,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GXWXNBCFBRBWJH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 372.12224039 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C21H16N4O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 372.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=C(C=C1)N2C=C(C(=O)C3=C2N=CC=C3)C(=O)NC4=CC=NC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=C(C=C1)N2C=C(C(=O)C3=C2N=CC=C3)C(=O)NC4=CC=NC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 84.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 372.12224039 28 0 0 0 0 0 0 0 1 -1