1-ethyl-7-methyl-4-oxo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide

C20H22N4O4S — CID 9463206

About 1-ethyl-7-methyl-4-oxo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide

1-ethyl-7-methyl-4-oxo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 9463206) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 1-ethyl-7-methyl-4-oxo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-7-methyl-4-oxo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide
• PubChem CID: 9463206
• Molecular Formula: C20H22N4O4S
• Molecular Weight: 414.49 g/mol
• Exact Mass: 414.14
• IUPAC Name: 1-ethyl-7-methyl-4-oxo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide
• SMILES: CCn1cc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(=O)c2ccc(C)nc21
• InChI: InChI=1S/C20H22N4O4S/c1-4-24-11-17(18(25)16-10-5-12(2)22-19(16)24)20(26)23-13(3)14-6-8-15(9-7-14)29(21,27)28/h5-11,13H,4H2,1-3H3,(H,23,26)(H2,21,27,28)/t13-/m1/s1
• InChIKey: ZCNVZVNITGFWAH-CYBMUJFWSA-N
• XLogP: 1.86
• TPSA: 124.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.49
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-4-oxo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 1-ethyl-7-methyl-4-oxo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide (CID 9463206) is 1-ethyl-7-methyl-4-oxo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-ethyl-7-methyl-4-oxo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 1-ethyl-7-methyl-4-oxo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(=O)c2ccc(C)nc21.

What is the InChIKey of 1-ethyl-7-methyl-4-oxo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide?

The InChIKey is ZCNVZVNITGFWAH-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-4-24-11-17(18(25)16-10-5-12(2)22-19(16)24)20(26)23-13(3)14-6-8-15(9-7-14)29(21,27)28/h5-11,13H,4H2,1-3H3,(H,23,26)(H2,21,27,28)/t13-/m1/s1.

What are the key properties of 1-ethyl-7-methyl-4-oxo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide?

1-ethyl-7-methyl-4-oxo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-7-methyl-4-oxo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 9463206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).