ethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate

C25H23F3N6O5S — CID 68792617

About ethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate

ethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 68792617) has the molecular formula C25H23F3N6O5S and a molecular weight of 576.56 g/mol. Its IUPAC name is ethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
• PubChem CID: 68792617
• Molecular Formula: C25H23F3N6O5S
• Molecular Weight: 576.56 g/mol
• Exact Mass: 576.14
• IUPAC Name: ethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
• SMILES: CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cnc3c(c2)c(O)c(C(=O)OCC)c(=O)n3CC)cn1
• InChI: InChI=1S/C25H23F3N6O5S/c1-4-29-24(38)33-17-8-13(21-32-16(11-40-21)25(26,27)28)15(10-30-17)12-7-14-19(35)18(23(37)39-6-3)22(36)34(5-2)20(14)31-9-12/h7-11,35H,4-6H2,1-3H3,(H2,29,30,33,38)
• InChIKey: VGBHWSYAUNOSID-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 148.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.56
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate?

The IUPAC name of ethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate (CID 68792617) is ethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate.

What is the SMILES notation for ethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate?

The canonical SMILES for ethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate is CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cnc3c(c2)c(O)c(C(=O)OCC)c(=O)n3CC)cn1.

What is the InChIKey of ethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate?

The InChIKey is VGBHWSYAUNOSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O5S/c1-4-29-24(38)33-17-8-13(21-32-16(11-40-21)25(26,27)28)15(10-30-17)12-7-14-19(35)18(23(37)39-6-3)22(36)34(5-2)20(14)31-9-12/h7-11,35H,4-6H2,1-3H3,(H2,29,30,33,38).

What are the key properties of ethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate?

ethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 576.56 g/mol, XLogP of 4.64, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 68792617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).