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

C25H23F3N6O5S — CID 68750820

IUPAC2-hydroxyethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cnc3c(c2)c(=O)c(C(=O)OCCO)cn3CC)cn1
InChIInChI=1S/C25H23F3N6O5S/c1-3-29-24(38)33-19-8-14(22-32-18(12-40-22)25(26,27)28)16(10-30-19)13-7-15-20(36)17(23(37)39-6-5-35)11-34(4-2)21(15)31-9-13/h7-12,35H,3-6H2,1-2H3,(H2,29,30,33,38)
InChIKeyUUZFYBSIFPNHEV-UHFFFAOYSA-N
MW576.56 g/mol
LogP3.91
Rot. Bonds8

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

2-hydroxyethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 68750820) has the molecular formula C25H23F3N6O5S and a molecular weight of 576.56 g/mol. Its IUPAC name is 2-hydroxyethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID68750820
Molecular FormulaC25H23F3N6O5S
Molecular Weight576.56 g/mol
Exact Mass576.14
IUPAC Name2-hydroxyethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cnc3c(c2)c(=O)c(C(=O)OCCO)cn3CC)cn1
InChIInChI=1S/C25H23F3N6O5S/c1-3-29-24(38)33-19-8-14(22-32-18(12-40-22)25(26,27)28)16(10-30-19)13-7-15-20(36)17(23(37)39-6-5-35)11-34(4-2)21(15)31-9-13/h7-12,35H,3-6H2,1-2H3,(H2,29,30,33,38)
InChIKeyUUZFYBSIFPNHEV-UHFFFAOYSA-N
XLogP3.91
TPSA148.33 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.56
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of 2-hydroxyethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-oxo-1,8-naphthyridine-3-carboxylate (CID 68750820) is 2-hydroxyethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for 2-hydroxyethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-oxo-1,8-naphthyridine-3-carboxylate is CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cnc3c(c2)c(=O)c(C(=O)OCCO)cn3CC)cn1.
What is the InChIKey of 2-hydroxyethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is UUZFYBSIFPNHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O5S/c1-3-29-24(38)33-19-8-14(22-32-18(12-40-22)25(26,27)28)16(10-30-19)13-7-15-20(36)17(23(37)39-6-5-35)11-34(4-2)21(15)31-9-13/h7-12,35H,3-6H2,1-2H3,(H2,29,30,33,38).
What are the key properties of 2-hydroxyethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-oxo-1,8-naphthyridine-3-carboxylate?
2-hydroxyethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 576.56 g/mol, XLogP of 3.91, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 68750820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).