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

C22H19F7N4O2 — CID 134346909

IUPAC7-(dimethylamino)-6-fluoro-4-oxo-N-(4,4,4-trifluoro-2-methylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
SMILESCN(C)c1nc2c(cc1F)c(=O)c(C(=O)NC(C)(C)CC(F)(F)F)cn2-c1c(F)cc(F)cc1F
InChIInChI=1S/C22H19F7N4O2/c1-21(2,9-22(27,28)29)31-20(35)12-8-33(16-13(24)5-10(23)6-14(16)25)18-11(17(12)34)7-15(26)19(30-18)32(3)4/h5-8H,9H2,1-4H3,(H,31,35)
InChIKeyPGAZMALMYWWEKV-UHFFFAOYSA-N
MW504.41 g/mol
LogP4.47
Rot. Bonds5

About 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

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 (PubChem CID 134346909) has the molecular formula C22H19F7N4O2 and a molecular weight of 504.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(dimethylamino)-6-fluoro-4-oxo-N-(4,4,4-trifluoro-2-methylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
PubChem CID134346909
Molecular FormulaC22H19F7N4O2
Molecular Weight504.41 g/mol
Exact Mass504.14
IUPAC Name7-(dimethylamino)-6-fluoro-4-oxo-N-(4,4,4-trifluoro-2-methylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
SMILESCN(C)c1nc2c(cc1F)c(=O)c(C(=O)NC(C)(C)CC(F)(F)F)cn2-c1c(F)cc(F)cc1F
InChIInChI=1S/C22H19F7N4O2/c1-21(2,9-22(27,28)29)31-20(35)12-8-33(16-13(24)5-10(23)6-14(16)25)18-11(17(12)34)7-15(26)19(30-18)32(3)4/h5-8H,9H2,1-4H3,(H,31,35)
InChIKeyPGAZMALMYWWEKV-UHFFFAOYSA-N
XLogP4.47
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
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-(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
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-[(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
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
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
6-fluoro-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-7-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134360126
7-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[1-(trifluoromethoxy)butan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134346783
N-tert-butyl-7-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 145203114

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)c1nc2c(cc1F)c(=O)c(C(=O)NC(C)(C)CC(F)(F)F)cn2-c1c(F)cc(F)cc1F.
What is the InChIKey of 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?
The InChIKey is PGAZMALMYWWEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F7N4O2/c1-21(2,9-22(27,28)29)31-20(35)12-8-33(16-13(24)5-10(23)6-14(16)25)18-11(17(12)34)7-15(26)19(30-18)32(3)4/h5-8H,9H2,1-4H3,(H,31,35).
What are the key properties of 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?
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 has a molecular weight of 504.41 g/mol, XLogP of 4.47, 5 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-(4,4,4-trifluoro-2-methylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 134346909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).