2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;4-chloro-6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;5-chloro-N-[(4-chlorophenyl)methyl]-6-ethenyl-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-(methylamino)-7-oxo-1,8-naphthyridine-3-carboxylic acid;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate

C161H140Br4Cl14F6N30O28 — CID 161170414

IUPAC2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;4-chloro-6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;5-chloro-N-[(4-chlorophenyl)methyl]-6-ethenyl-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-(methylamino)-7-oxo-1,8-naphthyridine-3-carboxylic acid;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate
SMILESC=Cc1cnc2c(cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n2CC(=O)N2CC(C)(F)C2)c1Cl.CC1(F)CN(C(=O)CBr)C1.CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(Cl)c(Br)cnc32)C1.CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(Cl)c(C(=O)O)cnc32)C1.CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(Cl)c(C=O)cnc32)C1.CNc1c(C(=O)O)cnc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)N1CC(C)(F)C1.COC(=O)CC(=O)NCc1ccc(Cl)cc1.Nc1ncc(Br)c(Cl)c1C=O.Nc1nccc(Cl)c1C=O.O=C(NCc1ccc(Cl)cc1)c1cc2c(Cl)c(Br)cnc2[nH]c1=O
InChIInChI=1S/C24H21Cl2FN4O3.C24H23ClFN5O5.C23H19Cl2FN4O5.C23H19Cl2FN4O4.C22H18BrCl2FN4O3.C16H10BrCl2N3O2.C11H12ClNO3.C6H4BrClN2O.C6H9BrFNO.C6H5ClN2O/c1-3-15-10-28-21-17(20(15)26)8-18(22(33)29-9-14-4-6-16(25)7-5-14)23(34)31(21)11-19(32)30-12-24(2,27)13-30;1-24(26)11-30(12-24)18(32)10-31-20-15(19(27-2)17(9-28-20)23(35)36)7-16(22(31)34)21(33)29-8-13-3-5-14(25)6-4-13;1-23(26)10-29(11-23)17(31)9-30-19-14(18(25)16(8-27-19)22(34)35)6-15(21(30)33)20(32)28-7-12-2-4-13(24)5-3-12;1-23(26)11-29(12-23)18(32)9-30-20-16(19(25)14(10-31)8-27-20)6-17(22(30)34)21(33)28-7-13-2-4-15(24)5-3-13;1-22(26)10-29(11-22)17(31)9-30-19-14(18(25)16(23)8-27-19)6-15(21(30)33)20(32)28-7-12-2-4-13(24)5-3-12;17-12-7-20-14-10(13(12)19)5-11(16(24)22-14)15(23)21-6-8-1-3-9(18)4-2-8;1-16-11(15)6-10(14)13-7-8-2-4-9(12)5-3-8;7-4-1-10-6(9)3(2-11)5(4)8;1-6(8)3-9(4-6)5(10)2-7;7-5-1-2-9-6(8)4(5)3-10/h3-8,10H,1,9,11-13H2,2H3,(H,29,33);3-7,9H,8,10-12H2,1-2H3,(H,27,28)(H,29,33)(H,35,36);2-6,8H,7,9-11H2,1H3,(H,28,32)(H,34,35);2-6,8,10H,7,9,11-12H2,1H3,(H,28,33);2-6,8H,7,9-11H2,1H3,(H,28,32);1-5,7H,6H2,(H,21,23)(H,20,22,24);2-5H,6-7H2,1H3,(H,13,14);1-2H,(H2,9,10);2-4H2,1H3;1-3H,(H2,8,9)
InChIKeyURCKCYWNOVSBPR-UHFFFAOYSA-N
MW3873.02 g/mol
LogP25.44
Rot. Bonds40

About 2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;4-chloro-6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;5-chloro-N-[(4-chlorophenyl)methyl]-6-ethenyl-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-(methylamino)-7-oxo-1,8-naphthyridine-3-carboxylic acid;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate

2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;4-chloro-6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;5-chloro-N-[(4-chlorophenyl)methyl]-6-ethenyl-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-(methylamino)-7-oxo-1,8-naphthyridine-3-carboxylic acid;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate (PubChem CID 161170414) has the molecular formula C161H140Br4Cl14F6N30O28 and a molecular weight of 3873.02 g/mol. Its IUPAC name is 2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;4-chloro-6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;5-chloro-N-[(4-chlorophenyl)methyl]-6-ethenyl-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-(methylamino)-7-oxo-1,8-naphthyridine-3-carboxylic acid;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate.

Molecular Properties

Compound Name2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;4-chloro-6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;5-chloro-N-[(4-chlorophenyl)methyl]-6-ethenyl-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-(methylamino)-7-oxo-1,8-naphthyridine-3-carboxylic acid;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate
PubChem CID161170414
Molecular FormulaC161H140Br4Cl14F6N30O28
Molecular Weight3873.02 g/mol
Exact Mass3860.27
IUPAC Name2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;4-chloro-6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;5-chloro-N-[(4-chlorophenyl)methyl]-6-ethenyl-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-(methylamino)-7-oxo-1,8-naphthyridine-3-carboxylic acid;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate
SMILESC=Cc1cnc2c(cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n2CC(=O)N2CC(C)(F)C2)c1Cl.CC1(F)CN(C(=O)CBr)C1.CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(Cl)c(Br)cnc32)C1.CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(Cl)c(C(=O)O)cnc32)C1.CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(Cl)c(C=O)cnc32)C1.CNc1c(C(=O)O)cnc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)N1CC(C)(F)C1.COC(=O)CC(=O)NCc1ccc(Cl)cc1.Nc1ncc(Br)c(Cl)c1C=O.Nc1nccc(Cl)c1C=O.O=C(NCc1ccc(Cl)cc1)c1cc2c(Cl)c(Br)cnc2[nH]c1=O
InChIInChI=1S/C24H21Cl2FN4O3.C24H23ClFN5O5.C23H19Cl2FN4O5.C23H19Cl2FN4O4.C22H18BrCl2FN4O3.C16H10BrCl2N3O2.C11H12ClNO3.C6H4BrClN2O.C6H9BrFNO.C6H5ClN2O/c1-3-15-10-28-21-17(20(15)26)8-18(22(33)29-9-14-4-6-16(25)7-5-14)23(34)31(21)11-19(32)30-12-24(2,27)13-30;1-24(26)11-30(12-24)18(32)10-31-20-15(19(27-2)17(9-28-20)23(35)36)7-16(22(31)34)21(33)29-8-13-3-5-14(25)6-4-13;1-23(26)10-29(11-23)17(31)9-30-19-14(18(25)16(8-27-19)22(34)35)6-15(21(30)33)20(32)28-7-12-2-4-13(24)5-3-12;1-23(26)11-29(12-23)18(32)9-30-20-16(19(25)14(10-31)8-27-20)6-17(22(30)34)21(33)28-7-13-2-4-15(24)5-3-13;1-22(26)10-29(11-22)17(31)9-30-19-14(18(25)16(23)8-27-19)6-15(21(30)33)20(32)28-7-12-2-4-13(24)5-3-12;17-12-7-20-14-10(13(12)19)5-11(16(24)22-14)15(23)21-6-8-1-3-9(18)4-2-8;1-16-11(15)6-10(14)13-7-8-2-4-9(12)5-3-8;7-4-1-10-6(9)3(2-11)5(4)8;1-6(8)3-9(4-6)5(10)2-7;7-5-1-2-9-6(8)4(5)3-10/h3-8,10H,1,9,11-13H2,2H3,(H,29,33);3-7,9H,8,10-12H2,1-2H3,(H,27,28)(H,29,33)(H,35,36);2-6,8H,7,9-11H2,1H3,(H,28,32)(H,34,35);2-6,8,10H,7,9,11-12H2,1H3,(H,28,33);2-6,8H,7,9-11H2,1H3,(H,28,32);1-5,7H,6H2,(H,21,23)(H,20,22,24);2-5H,6-7H2,1H3,(H,13,14);1-2H,(H2,9,10);2-4H2,1H3;1-3H,(H2,8,9)
InChIKeyURCKCYWNOVSBPR-UHFFFAOYSA-N
XLogP25.44
TPSA787.72 Ų
H-Bond Donors13
H-Bond Acceptors42
Rotatable Bonds40
Heavy Atoms243
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003873.02
LogP ≤ 525.44
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;4-chloro-6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;5-chloro-N-[(4-chlorophenyl)methyl]-6-ethenyl-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-(methylamino)-7-oxo-1,8-naphthyridine-3-carboxylic acid;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;4-chloro-6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;5-chloro-N-[(4-chlorophenyl)methyl]-6-ethenyl-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-(methylamino)-7-oxo-1,8-naphthyridine-3-carboxylic acid;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate?
The IUPAC name of 2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;4-chloro-6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;5-chloro-N-[(4-chlorophenyl)methyl]-6-ethenyl-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-(methylamino)-7-oxo-1,8-naphthyridine-3-carboxylic acid;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate (CID 161170414) is 2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;4-chloro-6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;5-chloro-N-[(4-chlorophenyl)methyl]-6-ethenyl-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-(methylamino)-7-oxo-1,8-naphthyridine-3-carboxylic acid;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate.
What is the SMILES notation for 2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;4-chloro-6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;5-chloro-N-[(4-chlorophenyl)methyl]-6-ethenyl-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-(methylamino)-7-oxo-1,8-naphthyridine-3-carboxylic acid;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate?
The canonical SMILES for 2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;4-chloro-6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;5-chloro-N-[(4-chlorophenyl)methyl]-6-ethenyl-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-(methylamino)-7-oxo-1,8-naphthyridine-3-carboxylic acid;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate is C=Cc1cnc2c(cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n2CC(=O)N2CC(C)(F)C2)c1Cl.CC1(F)CN(C(=O)CBr)C1.CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(Cl)c(Br)cnc32)C1.CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(Cl)c(C(=O)O)cnc32)C1.CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(Cl)c(C=O)cnc32)C1.CNc1c(C(=O)O)cnc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)N1CC(C)(F)C1.COC(=O)CC(=O)NCc1ccc(Cl)cc1.Nc1ncc(Br)c(Cl)c1C=O.Nc1nccc(Cl)c1C=O.O=C(NCc1ccc(Cl)cc1)c1cc2c(Cl)c(Br)cnc2[nH]c1=O.
What is the InChIKey of 2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;4-chloro-6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;5-chloro-N-[(4-chlorophenyl)methyl]-6-ethenyl-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-(methylamino)-7-oxo-1,8-naphthyridine-3-carboxylic acid;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate?
The InChIKey is URCKCYWNOVSBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2FN4O3.C24H23ClFN5O5.C23H19Cl2FN4O5.C23H19Cl2FN4O4.C22H18BrCl2FN4O3.C16H10BrCl2N3O2.C11H12ClNO3.C6H4BrClN2O.C6H9BrFNO.C6H5ClN2O/c1-3-15-10-28-21-17(20(15)26)8-18(22(33)29-9-14-4-6-16(25)7-5-14)23(34)31(21)11-19(32)30-12-24(2,27)13-30;1-24(26)11-30(12-24)18(32)10-31-20-15(19(27-2)17(9-28-20)23(35)36)7-16(22(31)34)21(33)29-8-13-3-5-14(25)6-4-13;1-23(26)10-29(11-23)17(31)9-30-19-14(18(25)16(8-27-19)22(34)35)6-15(21(30)33)20(32)28-7-12-2-4-13(24)5-3-12;1-23(26)11-29(12-23)18(32)9-30-20-16(19(25)14(10-31)8-27-20)6-17(22(30)34)21(33)28-7-13-2-4-15(24)5-3-13;1-22(26)10-29(11-22)17(31)9-30-19-14(18(25)16(23)8-27-19)6-15(21(30)33)20(32)28-7-12-2-4-13(24)5-3-12;17-12-7-20-14-10(13(12)19)5-11(16(24)22-14)15(23)21-6-8-1-3-9(18)4-2-8;1-16-11(15)6-10(14)13-7-8-2-4-9(12)5-3-8;7-4-1-10-6(9)3(2-11)5(4)8;1-6(8)3-9(4-6)5(10)2-7;7-5-1-2-9-6(8)4(5)3-10/h3-8,10H,1,9,11-13H2,2H3,(H,29,33);3-7,9H,8,10-12H2,1-2H3,(H,27,28)(H,29,33)(H,35,36);2-6,8H,7,9-11H2,1H3,(H,28,32)(H,34,35);2-6,8,10H,7,9,11-12H2,1H3,(H,28,33);2-6,8H,7,9-11H2,1H3,(H,28,32);1-5,7H,6H2,(H,21,23)(H,20,22,24);2-5H,6-7H2,1H3,(H,13,14);1-2H,(H2,9,10);2-4H2,1H3;1-3H,(H2,8,9).
What are the key properties of 2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;4-chloro-6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;5-chloro-N-[(4-chlorophenyl)methyl]-6-ethenyl-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-(methylamino)-7-oxo-1,8-naphthyridine-3-carboxylic acid;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate?
2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;4-chloro-6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;5-chloro-N-[(4-chlorophenyl)methyl]-6-ethenyl-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-(methylamino)-7-oxo-1,8-naphthyridine-3-carboxylic acid;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate has a molecular weight of 3873.02 g/mol, XLogP of 25.44, 40 rotatable bonds, 13 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;4-chloro-6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;5-chloro-N-[(4-chlorophenyl)methyl]-6-ethenyl-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-(methylamino)-7-oxo-1,8-naphthyridine-3-carboxylic acid;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate is sourced from PubChem (CID 161170414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).