5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide;2H-triazole

C50H49Cl3N14O6 — CID 158107819

About 5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide;2H-triazole

5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide;2H-triazole (PubChem CID 158107819) has the molecular formula C50H49Cl3N14O6 and a molecular weight of 1048.39 g/mol. Its IUPAC name is 5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide;2H-triazole.

Molecular Properties

• Compound Name: 5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide;2H-triazole
• PubChem CID: 158107819
• Molecular Formula: C50H49Cl3N14O6
• Molecular Weight: 1048.39 g/mol
• Exact Mass: 1046.30
• IUPAC Name: 5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide;2H-triazole
• SMILES: CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(-n4nccn4)ccnc32)C1.CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(Cl)ccnc32)C1.c1cn[nH]n1
• InChI: InChI=1S/C25H24ClN7O3.C23H22Cl2N4O3.C2H3N3/c1-25(2)14-31(15-25)21(34)13-32-22-18(20(7-8-27-22)33-29-9-10-30-33)11-19(24(32)36)23(35)28-12-16-3-5-17(26)6-4-16;1-23(2)12-28(13-23)19(30)11-29-20-16(18(25)7-8-26-20)9-17(22(29)32)21(31)27-10-14-3-5-15(24)6-4-14;1-2-4-5-3-1/h3-11H,12-15H2,1-2H3,(H,28,35);3-9H,10-13H2,1-2H3,(H,27,31);1-2H,(H,3,4,5)
• InChIKey: FQBCBMKFUMHOPF-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 240.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1048.39
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide;2H-triazole?

The IUPAC name of 5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide;2H-triazole (CID 158107819) is 5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide;2H-triazole.

What is the SMILES notation for 5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide;2H-triazole?

The canonical SMILES for 5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide;2H-triazole is CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(-n4nccn4)ccnc32)C1.CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(Cl)ccnc32)C1.c1cn[nH]n1.

What is the InChIKey of 5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide;2H-triazole?

The InChIKey is FQBCBMKFUMHOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN7O3.C23H22Cl2N4O3.C2H3N3/c1-25(2)14-31(15-25)21(34)13-32-22-18(20(7-8-27-22)33-29-9-10-30-33)11-19(24(32)36)23(35)28-12-16-3-5-17(26)6-4-16;1-23(2)12-28(13-23)19(30)11-29-20-16(18(25)7-8-26-20)9-17(22(29)32)21(31)27-10-14-3-5-15(24)6-4-14;1-2-4-5-3-1/h3-11H,12-15H2,1-2H3,(H,28,35);3-9H,10-13H2,1-2H3,(H,27,31);1-2H,(H,3,4,5).

What are the key properties of 5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide;2H-triazole?

5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide;2H-triazole has a molecular weight of 1048.39 g/mol, XLogP of 5.74, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide;2H-triazole is sourced from PubChem (CID 158107819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).