5-[2-(azetidin-1-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C28H32ClN5O3 — CID 118135883

About 5-[2-(azetidin-1-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide

5-[2-(azetidin-1-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 118135883) has the molecular formula C28H32ClN5O3 and a molecular weight of 522.05 g/mol. Its IUPAC name is 5-[2-(azetidin-1-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(azetidin-1-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 118135883
• Molecular Formula: C28H32ClN5O3
• Molecular Weight: 522.05 g/mol
• Exact Mass: 521.22
• IUPAC Name: 5-[2-(azetidin-1-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(CCN4CCC4)ccnc32)C1
• InChI: InChI=1S/C28H32ClN5O3/c1-28(2)17-33(18-28)24(35)16-34-25-22(20(8-10-30-25)9-13-32-11-3-12-32)14-23(27(34)37)26(36)31-15-19-4-6-21(29)7-5-19/h4-8,10,14H,3,9,11-13,15-18H2,1-2H3,(H,31,36)
• InChIKey: SRVYQJGASJEQAZ-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.05
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 5-[2-(azetidin-1-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 118135883) is 5-[2-(azetidin-1-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

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

The canonical SMILES for 5-[2-(azetidin-1-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide is CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(CCN4CCC4)ccnc32)C1.

What is the InChIKey of 5-[2-(azetidin-1-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is SRVYQJGASJEQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN5O3/c1-28(2)17-33(18-28)24(35)16-34-25-22(20(8-10-30-25)9-13-32-11-3-12-32)14-23(27(34)37)26(36)31-15-19-4-6-21(29)7-5-19/h4-8,10,14H,3,9,11-13,15-18H2,1-2H3,(H,31,36).

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

5-[2-(azetidin-1-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 522.05 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(azetidin-1-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 118135883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).