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

C28H26ClN7O4 — CID 71766816

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

3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-N-pyridazin-3-yl-1,8-naphthyridine-3,5-dicarboxamide (PubChem CID 71766816) has the molecular formula C28H26ClN7O4 and a molecular weight of 560.01 g/mol. Its IUPAC name is 3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-N-pyridazin-3-yl-1,8-naphthyridine-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-N-pyridazin-3-yl-1,8-naphthyridine-3,5-dicarboxamide
• PubChem CID: 71766816
• Molecular Formula: C28H26ClN7O4
• Molecular Weight: 560.01 g/mol
• Exact Mass: 559.17
• IUPAC Name: 3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-N-pyridazin-3-yl-1,8-naphthyridine-3,5-dicarboxamide
• SMILES: CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(C(=O)Nc4cccnn4)ccnc32)C1
• InChI: InChI=1S/C28H26ClN7O4/c1-28(2)15-35(16-28)23(37)14-36-24-20(19(9-11-30-24)26(39)33-22-4-3-10-32-34-22)12-21(27(36)40)25(38)31-13-17-5-7-18(29)8-6-17/h3-12H,13-16H2,1-2H3,(H,31,38)(H,33,34,39)
• InChIKey: PWXRQVCHMRTRCC-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 139.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.01
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-N-pyridazin-3-yl-1,8-naphthyridine-3,5-dicarboxamide (CID 71766816) is 3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-N-pyridazin-3-yl-1,8-naphthyridine-3,5-dicarboxamide.

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

The canonical SMILES for 3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-N-pyridazin-3-yl-1,8-naphthyridine-3,5-dicarboxamide is CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(C(=O)Nc4cccnn4)ccnc32)C1.

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

The InChIKey is PWXRQVCHMRTRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN7O4/c1-28(2)15-35(16-28)23(37)14-36-24-20(19(9-11-30-24)26(39)33-22-4-3-10-32-34-22)12-21(27(36)40)25(38)31-13-17-5-7-18(29)8-6-17/h3-12H,13-16H2,1-2H3,(H,31,38)(H,33,34,39).

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

3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-N-pyridazin-3-yl-1,8-naphthyridine-3,5-dicarboxamide has a molecular weight of 560.01 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-N-pyridazin-3-yl-1,8-naphthyridine-3,5-dicarboxamide is sourced from PubChem (CID 71766816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).