5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;ethyl 5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate

C71H71BrClF4N21O23 — CID 159886995

About 5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;ethyl 5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate

5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;ethyl 5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate (PubChem CID 159886995) has the molecular formula C71H71BrClF4N21O23 and a molecular weight of 1777.82 g/mol. Its IUPAC name is 5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;ethyl 5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

• Compound Name: 5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;ethyl 5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate
• PubChem CID: 159886995
• Molecular Formula: C71H71BrClF4N21O23
• Molecular Weight: 1777.82 g/mol
• Exact Mass: 1775.38
• IUPAC Name: 5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;ethyl 5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate
• SMILES: CC1(F)CN(C(=O)CBr)C1.CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(N)c([N+](=O)[O-])cnc32)C1.CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)O)cc3c(N)c([N+](=O)[O-])cnc32)C1.CCOC(=O)c1cc2c(N)c([N+](=O)[O-])cnc2[nH]c1=O.CCOC(=O)c1cc2c(N)c([N+](=O)[O-])cnc2n(CC(=O)N2CC(C)(F)C2)c1=O
• InChI: InChI=1S/C22H20ClFN6O5.C17H18FN5O6.C15H14FN5O6.C11H10N4O5.C6H9BrFNO/c1-22(24)10-28(11-22)17(31)9-29-19-14(18(25)16(8-26-19)30(34)35)6-15(21(29)33)20(32)27-7-12-2-4-13(23)5-3-12;1-3-29-16(26)10-4-9-13(19)11(23(27)28)5-20-14(9)22(15(10)25)6-12(24)21-7-17(2,18)8-21;1-15(16)5-19(6-15)10(22)4-20-12-7(2-8(13(20)23)14(24)25)11(17)9(3-18-12)21(26)27;1-2-20-11(17)6-3-5-8(12)7(15(18)19)4-13-9(5)14-10(6)16;1-6(8)3-9(4-6)5(10)2-7/h2-6,8H,7,9-11H2,1H3,(H2,25,26)(H,27,32);4-5H,3,6-8H2,1-2H3,(H2,19,20);2-3H,4-6H2,1H3,(H2,17,18)(H,24,25);3-4H,2H2,1H3,(H3,12,13,14,16);2-4H2,1H3
• InChIKey: NUGKTHNFNSUQIS-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 627.30 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 19
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1777.82
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;ethyl 5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate?

The IUPAC name of 5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;ethyl 5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate (CID 159886995) is 5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;ethyl 5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate.

What is the SMILES notation for 5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;ethyl 5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate?

The canonical SMILES for 5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;ethyl 5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate is CC1(F)CN(C(=O)CBr)C1.CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(N)c([N+](=O)[O-])cnc32)C1.CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)O)cc3c(N)c([N+](=O)[O-])cnc32)C1.CCOC(=O)c1cc2c(N)c([N+](=O)[O-])cnc2[nH]c1=O.CCOC(=O)c1cc2c(N)c([N+](=O)[O-])cnc2n(CC(=O)N2CC(C)(F)C2)c1=O.

What is the InChIKey of 5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;ethyl 5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate?

The InChIKey is NUGKTHNFNSUQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN6O5.C17H18FN5O6.C15H14FN5O6.C11H10N4O5.C6H9BrFNO/c1-22(24)10-28(11-22)17(31)9-29-19-14(18(25)16(8-26-19)30(34)35)6-15(21(29)33)20(32)27-7-12-2-4-13(23)5-3-12;1-3-29-16(26)10-4-9-13(19)11(23(27)28)5-20-14(9)22(15(10)25)6-12(24)21-7-17(2,18)8-21;1-15(16)5-19(6-15)10(22)4-20-12-7(2-8(13(20)23)14(24)25)11(17)9(3-18-12)21(26)27;1-2-20-11(17)6-3-5-8(12)7(15(18)19)4-13-9(5)14-10(6)16;1-6(8)3-9(4-6)5(10)2-7/h2-6,8H,7,9-11H2,1H3,(H2,25,26)(H,27,32);4-5H,3,6-8H2,1-2H3,(H2,19,20);2-3H,4-6H2,1H3,(H2,17,18)(H,24,25);3-4H,2H2,1H3,(H3,12,13,14,16);2-4H2,1H3.

What are the key properties of 5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;ethyl 5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate?

5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;ethyl 5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate has a molecular weight of 1777.82 g/mol, XLogP of 4.37, 19 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;2-bromo-1-(3-fluoro-3-methylazetidin-1-yl)ethanone;ethyl 5-amino-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 159886995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).