7-(dimethylamino)-6-fluoro-4-oxo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

C21H17F7N4O2 — CID 134346855

IUPAC7-(dimethylamino)-6-fluoro-4-oxo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
SMILESCN(C)c1nc2c(cc1F)c(=O)c(C(=O)NC(C)(C)C(F)(F)F)cn2-c1c(F)cc(F)cc1F
InChIInChI=1S/C21H17F7N4O2/c1-20(2,21(26,27)28)30-19(34)11-8-32(15-12(23)5-9(22)6-13(15)24)17-10(16(11)33)7-14(25)18(29-17)31(3)4/h5-8H,1-4H3,(H,30,34)
InChIKeyXLRBYQZPMKIXAH-UHFFFAOYSA-N
MW490.38 g/mol
LogP4.08
Rot. Bonds4

About 7-(dimethylamino)-6-fluoro-4-oxo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

7-(dimethylamino)-6-fluoro-4-oxo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 134346855) has the molecular formula C21H17F7N4O2 and a molecular weight of 490.38 g/mol. Its IUPAC name is 7-(dimethylamino)-6-fluoro-4-oxo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-(dimethylamino)-6-fluoro-4-oxo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
PubChem CID134346855
Molecular FormulaC21H17F7N4O2
Molecular Weight490.38 g/mol
Exact Mass490.12
IUPAC Name7-(dimethylamino)-6-fluoro-4-oxo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
SMILESCN(C)c1nc2c(cc1F)c(=O)c(C(=O)NC(C)(C)C(F)(F)F)cn2-c1c(F)cc(F)cc1F
InChIInChI=1S/C21H17F7N4O2/c1-20(2,21(26,27)28)30-19(34)11-8-32(15-12(23)5-9(22)6-13(15)24)17-10(16(11)33)7-14(25)18(29-17)31(3)4/h5-8H,1-4H3,(H,30,34)
InChIKeyXLRBYQZPMKIXAH-UHFFFAOYSA-N
XLogP4.08
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(dimethylamino)-6-fluoro-4-oxo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide with MolForge

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Related Compounds

7-(dimethylamino)-6-fluoro-4-oxo-N-(4,4,4-trifluoro-2-methylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134346909
6-fluoro-7-[methyl(trifluoromethyl)amino]-4-oxo-N-(4,4,4-trifluoro-2-methylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 139446118
1-(2-chloro-4,6-difluorophenyl)-7-(dimethylamino)-6-fluoro-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 134360179
7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(2,4,6-trifluorophenyl)-N-(2,3,3-trimethylbutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 134360176
7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-N-(3-methylpentan-3-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134346781
7-(3,4-dihydroxypyrrolidin-1-yl)-6-fluoro-N-(2-methylbutan-2-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134360152
N-(1,1-difluoro-2-methylpropan-2-yl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134346770
1-(2-chloro-4,6-difluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-fluoro-7-[[(2S)-2-hydroxypropyl]-methylamino]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 134359978
6-fluoro-7-morpholin-4-yl-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134348717
1-(2,6-difluorophenyl)-6-fluoro-7-[2-hydroxyethyl(methyl)amino]-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 134360166
7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-(1,1,1,2,2-pentafluoropentan-3-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 139431794
6-fluoro-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134360099

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-6-fluoro-4-oxo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 7-(dimethylamino)-6-fluoro-4-oxo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (CID 134346855) is 7-(dimethylamino)-6-fluoro-4-oxo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-(dimethylamino)-6-fluoro-4-oxo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 7-(dimethylamino)-6-fluoro-4-oxo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is CN(C)c1nc2c(cc1F)c(=O)c(C(=O)NC(C)(C)C(F)(F)F)cn2-c1c(F)cc(F)cc1F.
What is the InChIKey of 7-(dimethylamino)-6-fluoro-4-oxo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is XLRBYQZPMKIXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F7N4O2/c1-20(2,21(26,27)28)30-19(34)11-8-32(15-12(23)5-9(22)6-13(15)24)17-10(16(11)33)7-14(25)18(29-17)31(3)4/h5-8H,1-4H3,(H,30,34).
What are the key properties of 7-(dimethylamino)-6-fluoro-4-oxo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
7-(dimethylamino)-6-fluoro-4-oxo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 490.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-6-fluoro-4-oxo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 134346855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).