1-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-(azetidin-3-yl)acetate;tert-butyl 2-[1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidin-3-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid

C75H80Cl3N13O14 — CID 158044237

About 1-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-(azetidin-3-yl)acetate;tert-butyl 2-[1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidin-3-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid

1-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-(azetidin-3-yl)acetate;tert-butyl 2-[1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidin-3-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid (PubChem CID 158044237) has the molecular formula C75H80Cl3N13O14 and a molecular weight of 1493.90 g/mol. Its IUPAC name is 1-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-(azetidin-3-yl)acetate;tert-butyl 2-[1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidin-3-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid.

Molecular Properties

• Compound Name: 1-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-(azetidin-3-yl)acetate;tert-butyl 2-[1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidin-3-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid
• PubChem CID: 158044237
• Molecular Formula: C75H80Cl3N13O14
• Molecular Weight: 1493.90 g/mol
• Exact Mass: 1491.50
• IUPAC Name: 1-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-(azetidin-3-yl)acetate;tert-butyl 2-[1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidin-3-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid
• SMILES: CC(C)(C)OC(=O)CC1CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cccnc32)C1.CC(C)(C)OC(=O)CC1CNC1.NC1CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cccnc32)C1.O=C(O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cccnc21
• InChI: InChI=1S/C27H29ClN4O5.C21H20ClN5O3.C18H14ClN3O4.C9H17NO2/c1-27(2,3)37-23(34)11-18-14-31(15-18)22(33)16-32-24-19(5-4-10-29-24)12-21(26(32)36)25(35)30-13-17-6-8-20(28)9-7-17;22-15-5-3-13(4-6-15)9-25-20(29)17-8-14-2-1-7-24-19(14)27(21(17)30)12-18(28)26-10-16(23)11-26;19-13-5-3-11(4-6-13)9-21-17(25)14-8-12-2-1-7-20-16(12)22(18(14)26)10-15(23)24;1-9(2,3)12-8(11)4-7-5-10-6-7/h4-10,12,18H,11,13-16H2,1-3H3,(H,30,35);1-8,16H,9-12,23H2,(H,25,29);1-8H,9-10H2,(H,21,25)(H,23,24);7,10H,4-6H2,1-3H3
• InChIKey: FISFTIQAQYRUSL-UHFFFAOYSA-N
• XLogP: 7.32
• TPSA: 360.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1493.90
LogP ≤ 5	7.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-(azetidin-3-yl)acetate;tert-butyl 2-[1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidin-3-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid?

The IUPAC name of 1-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-(azetidin-3-yl)acetate;tert-butyl 2-[1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidin-3-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid (CID 158044237) is 1-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-(azetidin-3-yl)acetate;tert-butyl 2-[1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidin-3-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid.

What is the SMILES notation for 1-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-(azetidin-3-yl)acetate;tert-butyl 2-[1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidin-3-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid?

The canonical SMILES for 1-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-(azetidin-3-yl)acetate;tert-butyl 2-[1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidin-3-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid is CC(C)(C)OC(=O)CC1CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cccnc32)C1.CC(C)(C)OC(=O)CC1CNC1.NC1CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cccnc32)C1.O=C(O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cccnc21.

What is the InChIKey of 1-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-(azetidin-3-yl)acetate;tert-butyl 2-[1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidin-3-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid?

The InChIKey is FISFTIQAQYRUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O5.C21H20ClN5O3.C18H14ClN3O4.C9H17NO2/c1-27(2,3)37-23(34)11-18-14-31(15-18)22(33)16-32-24-19(5-4-10-29-24)12-21(26(32)36)25(35)30-13-17-6-8-20(28)9-7-17;22-15-5-3-13(4-6-15)9-25-20(29)17-8-14-2-1-7-24-19(14)27(21(17)30)12-18(28)26-10-16(23)11-26;19-13-5-3-11(4-6-13)9-21-17(25)14-8-12-2-1-7-20-16(12)22(18(14)26)10-15(23)24;1-9(2,3)12-8(11)4-7-5-10-6-7/h4-10,12,18H,11,13-16H2,1-3H3,(H,30,35);1-8,16H,9-12,23H2,(H,25,29);1-8H,9-10H2,(H,21,25)(H,23,24);7,10H,4-6H2,1-3H3.

What are the key properties of 1-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-(azetidin-3-yl)acetate;tert-butyl 2-[1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidin-3-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid?

1-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-(azetidin-3-yl)acetate;tert-butyl 2-[1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidin-3-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid has a molecular weight of 1493.90 g/mol, XLogP of 7.32, 19 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;tert-butyl 2-(azetidin-3-yl)acetate;tert-butyl 2-[1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidin-3-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid is sourced from PubChem (CID 158044237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).