2-amino-5-bromopyridine-3-carbaldehyde;2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate

C96H84Br5Cl5N16O17 — CID 157428316

About 2-amino-5-bromopyridine-3-carbaldehyde;2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate

2-amino-5-bromopyridine-3-carbaldehyde;2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate (PubChem CID 157428316) has the molecular formula C96H84Br5Cl5N16O17 and a molecular weight of 2310.61 g/mol. Its IUPAC name is 2-amino-5-bromopyridine-3-carbaldehyde;2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate.

Molecular Properties

• Compound Name: 2-amino-5-bromopyridine-3-carbaldehyde;2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate
• PubChem CID: 157428316
• Molecular Formula: C96H84Br5Cl5N16O17
• Molecular Weight: 2310.61 g/mol
• Exact Mass: 2302.06
• IUPAC Name: 2-amino-5-bromopyridine-3-carbaldehyde;2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate
• SMILES: CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cc(Br)cnc21.CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cc(Br)cnc32)C1.COC(=O)CC(=O)NCc1ccc(Cl)cc1.Nc1ncc(Br)cc1C=O.O=C(NCc1ccc(Cl)cc1)c1cc2cc(Br)cnc2[nH]c1=O.O=C(O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cc(Br)cnc21
• InChI: InChI=1S/C23H22BrClN4O3.C22H21BrClN3O4.C18H13BrClN3O4.C16H11BrClN3O2.C11H12ClNO3.C6H5BrN2O/c1-23(2)12-28(13-23)19(30)11-29-20-15(7-16(24)10-26-20)8-18(22(29)32)21(31)27-9-14-3-5-17(25)6-4-14;1-22(2,3)31-18(28)12-27-19-14(8-15(23)11-25-19)9-17(21(27)30)20(29)26-10-13-4-6-16(24)7-5-13;19-12-5-11-6-14(17(26)22-7-10-1-3-13(20)4-2-10)18(27)23(9-15(24)25)16(11)21-8-12;17-11-5-10-6-13(16(23)21-14(10)19-8-11)15(22)20-7-9-1-3-12(18)4-2-9;1-16-11(15)6-10(14)13-7-8-2-4-9(12)5-3-8;7-5-1-4(3-10)6(8)9-2-5/h3-8,10H,9,11-13H2,1-2H3,(H,27,31);4-9,11H,10,12H2,1-3H3,(H,26,29);1-6,8H,7,9H2,(H,22,26)(H,24,25);1-6,8H,7H2,(H,20,22)(H,19,21,23);2-5H,6-7H2,1H3,(H,13,14);1-3H,(H2,8,9)
• InChIKey: BQFNHVMMQYEGIW-UHFFFAOYSA-N
• XLogP: 16.55
• TPSA: 462.11 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2310.61
LogP ≤ 5	16.55
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromopyridine-3-carbaldehyde;2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate?

The IUPAC name of 2-amino-5-bromopyridine-3-carbaldehyde;2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate (CID 157428316) is 2-amino-5-bromopyridine-3-carbaldehyde;2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate.

What is the SMILES notation for 2-amino-5-bromopyridine-3-carbaldehyde;2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate?

The canonical SMILES for 2-amino-5-bromopyridine-3-carbaldehyde;2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate is CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cc(Br)cnc21.CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cc(Br)cnc32)C1.COC(=O)CC(=O)NCc1ccc(Cl)cc1.Nc1ncc(Br)cc1C=O.O=C(NCc1ccc(Cl)cc1)c1cc2cc(Br)cnc2[nH]c1=O.O=C(O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cc(Br)cnc21.

What is the InChIKey of 2-amino-5-bromopyridine-3-carbaldehyde;2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate?

The InChIKey is BQFNHVMMQYEGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrClN4O3.C22H21BrClN3O4.C18H13BrClN3O4.C16H11BrClN3O2.C11H12ClNO3.C6H5BrN2O/c1-23(2)12-28(13-23)19(30)11-29-20-15(7-16(24)10-26-20)8-18(22(29)32)21(31)27-9-14-3-5-17(25)6-4-14;1-22(2,3)31-18(28)12-27-19-14(8-15(23)11-25-19)9-17(21(27)30)20(29)26-10-13-4-6-16(24)7-5-13;19-12-5-11-6-14(17(26)22-7-10-1-3-13(20)4-2-10)18(27)23(9-15(24)25)16(11)21-8-12;17-11-5-10-6-13(16(23)21-14(10)19-8-11)15(22)20-7-9-1-3-12(18)4-2-9;1-16-11(15)6-10(14)13-7-8-2-4-9(12)5-3-8;7-5-1-4(3-10)6(8)9-2-5/h3-8,10H,9,11-13H2,1-2H3,(H,27,31);4-9,11H,10,12H2,1-3H3,(H,26,29);1-6,8H,7,9H2,(H,22,26)(H,24,25);1-6,8H,7H2,(H,20,22)(H,19,21,23);2-5H,6-7H2,1H3,(H,13,14);1-3H,(H2,8,9).

What are the key properties of 2-amino-5-bromopyridine-3-carbaldehyde;2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate?

2-amino-5-bromopyridine-3-carbaldehyde;2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate has a molecular weight of 2310.61 g/mol, XLogP of 16.55, 23 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-bromopyridine-3-carbaldehyde;2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;6-bromo-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate is sourced from PubChem (CID 157428316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).