2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol

C103H100BrCl4N21O17 — CID 158141510

About 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol

2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol (PubChem CID 158141510) has the molecular formula C103H100BrCl4N21O17 and a molecular weight of 2125.78 g/mol. Its IUPAC name is 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol.

Molecular Properties

• Compound Name: 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol
• PubChem CID: 158141510
• Molecular Formula: C103H100BrCl4N21O17
• Molecular Weight: 2125.78 g/mol
• Exact Mass: 2121.55
• IUPAC Name: 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol
• SMILES: CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cc(-c3ccncc3)c(N)nc21.CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cc(Br)c(N)nc21.CC1(O)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cc(-c4ccncc4)c(N)nc32)C1.CC1(O)CNC1.Nc1nc2c(cc1-c1ccncc1)cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)O
• InChI: InChI=1S/C27H25ClN6O4.C27H26ClN5O4.C23H18ClN5O4.C22H22BrClN4O4.C4H9NO/c1-27(38)14-33(15-27)22(35)13-34-24-18(10-20(23(29)32-24)17-6-8-30-9-7-17)11-21(26(34)37)25(36)31-12-16-2-4-19(28)5-3-16;1-27(2,3)37-22(34)15-33-24-18(12-20(23(29)32-24)17-8-10-30-11-9-17)13-21(26(33)36)25(35)31-14-16-4-6-19(28)7-5-16;24-16-3-1-13(2-4-16)11-27-22(32)18-10-15-9-17(14-5-7-26-8-6-14)20(25)28-21(15)29(23(18)33)12-19(30)31;1-22(2,3)32-17(29)11-28-19-13(9-16(23)18(25)27-19)8-15(21(28)31)20(30)26-10-12-4-6-14(24)7-5-12;1-4(6)2-5-3-4/h2-11,38H,12-15H2,1H3,(H2,29,32)(H,31,36);4-13H,14-15H2,1-3H3,(H2,29,32)(H,31,35);1-10H,11-12H2,(H2,25,28)(H,27,32)(H,30,31);4-9H,10-11H2,1-3H3,(H2,25,27)(H,26,30);5-6H,2-3H2,1H3
• InChIKey: FTZPSMCAWBSUCK-UHFFFAOYSA-N
• XLogP: 11.90
• TPSA: 561.41 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2125.78
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol?

The IUPAC name of 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol (CID 158141510) is 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol.

What is the SMILES notation for 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol?

The canonical SMILES for 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol is CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cc(-c3ccncc3)c(N)nc21.CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cc(Br)c(N)nc21.CC1(O)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cc(-c4ccncc4)c(N)nc32)C1.CC1(O)CNC1.Nc1nc2c(cc1-c1ccncc1)cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)O.

What is the InChIKey of 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol?

The InChIKey is FTZPSMCAWBSUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN6O4.C27H26ClN5O4.C23H18ClN5O4.C22H22BrClN4O4.C4H9NO/c1-27(38)14-33(15-27)22(35)13-34-24-18(10-20(23(29)32-24)17-6-8-30-9-7-17)11-21(26(34)37)25(36)31-12-16-2-4-19(28)5-3-16;1-27(2,3)37-22(34)15-33-24-18(12-20(23(29)32-24)17-8-10-30-11-9-17)13-21(26(33)36)25(35)31-14-16-4-6-19(28)7-5-16;24-16-3-1-13(2-4-16)11-27-22(32)18-10-15-9-17(14-5-7-26-8-6-14)20(25)28-21(15)29(23(18)33)12-19(30)31;1-22(2,3)32-17(29)11-28-19-13(9-16(23)18(25)27-19)8-15(21(28)31)20(30)26-10-12-4-6-14(24)7-5-12;1-4(6)2-5-3-4/h2-11,38H,12-15H2,1H3,(H2,29,32)(H,31,36);4-13H,14-15H2,1-3H3,(H2,29,32)(H,31,35);1-10H,11-12H2,(H2,25,28)(H,27,32)(H,30,31);4-9H,10-11H2,1-3H3,(H2,25,27)(H,26,30);5-6H,2-3H2,1H3.

What are the key properties of 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol?

2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol has a molecular weight of 2125.78 g/mol, XLogP of 11.90, 23 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[7-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate;3-methylazetidin-3-ol is sourced from PubChem (CID 158141510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).