1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,8-naphthyridine-3-carboxamide

C23H23F5N4O2 — CID 135354804

IUPAC1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,8-naphthyridine-3-carboxamide
SMILESCN(C)c1ccc2c(=O)c(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)cn(-c3ccc(F)cc3F)c2n1
InChIInChI=1S/C23H23F5N4O2/c1-22(2,3)21(23(26,27)28)30-20(34)14-11-32(16-8-6-12(24)10-15(16)25)19-13(18(14)33)7-9-17(29-19)31(4)5/h6-11,21H,1-5H3,(H,30,34)/t21-/m0/s1
InChIKeyGDPUOGVJZRWMIJ-NRFANRHFSA-N
MW482.45 g/mol
LogP4.44
Rot. Bonds4

About 1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,8-naphthyridine-3-carboxamide

1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,8-naphthyridine-3-carboxamide (PubChem CID 135354804) has the molecular formula C23H23F5N4O2 and a molecular weight of 482.45 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,8-naphthyridine-3-carboxamide
PubChem CID135354804
Molecular FormulaC23H23F5N4O2
Molecular Weight482.45 g/mol
Exact Mass482.17
IUPAC Name1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,8-naphthyridine-3-carboxamide
SMILESCN(C)c1ccc2c(=O)c(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)cn(-c3ccc(F)cc3F)c2n1
InChIInChI=1S/C23H23F5N4O2/c1-22(2,3)21(23(26,27)28)30-20(34)14-11-32(16-8-6-12(24)10-15(16)25)19-13(18(14)33)7-9-17(29-19)31(4)5/h6-11,21H,1-5H3,(H,30,34)/t21-/m0/s1
InChIKeyGDPUOGVJZRWMIJ-NRFANRHFSA-N
XLogP4.44
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,8-naphthyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,8-naphthyridine-3-carboxamide (CID 135354804) is 1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,8-naphthyridine-3-carboxamide is CN(C)c1ccc2c(=O)c(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)cn(-c3ccc(F)cc3F)c2n1.
What is the InChIKey of 1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is GDPUOGVJZRWMIJ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23F5N4O2/c1-22(2,3)21(23(26,27)28)30-20(34)14-11-32(16-8-6-12(24)10-15(16)25)19-13(18(14)33)7-9-17(29-19)31(4)5/h6-11,21H,1-5H3,(H,30,34)/t21-/m0/s1.
What are the key properties of 1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,8-naphthyridine-3-carboxamide?
1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 482.45 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 135354804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).