4-[4-[[2-(2-fluoro-5-methylanilino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide

C24H19FN4O4 — CID 138743714

IUPAC4-[4-[[2-(2-fluoro-5-methylanilino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(Nc3c(Nc4cc(C)ccc4F)c(=O)c3=O)cc2)ccn1
InChIInChI=1S/C24H19FN4O4/c1-13-3-8-17(25)18(11-13)29-21-20(22(30)23(21)31)28-14-4-6-15(7-5-14)33-16-9-10-27-19(12-16)24(32)26-2/h3-12,28-29H,1-2H3,(H,26,32)
InChIKeyPUGMDSUEPFLGIS-UHFFFAOYSA-N
MW446.44 g/mol
LogP3.76
Rot. Bonds7

About 4-[4-[[2-(2-fluoro-5-methylanilino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[[2-(2-fluoro-5-methylanilino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 138743714) has the molecular formula C24H19FN4O4 and a molecular weight of 446.44 g/mol. Its IUPAC name is 4-[4-[[2-(2-fluoro-5-methylanilino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[2-(2-fluoro-5-methylanilino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID138743714
Molecular FormulaC24H19FN4O4
Molecular Weight446.44 g/mol
Exact Mass446.14
IUPAC Name4-[4-[[2-(2-fluoro-5-methylanilino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(Nc3c(Nc4cc(C)ccc4F)c(=O)c3=O)cc2)ccn1
InChIInChI=1S/C24H19FN4O4/c1-13-3-8-17(25)18(11-13)29-21-20(22(30)23(21)31)28-14-4-6-15(7-5-14)33-16-9-10-27-19(12-16)24(32)26-2/h3-12,28-29H,1-2H3,(H,26,32)
InChIKeyPUGMDSUEPFLGIS-UHFFFAOYSA-N
XLogP3.76
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-[4-[[2-(2-fluoro-5-methylanilino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4-[4-[[2-[4-methyl-3-(trifluoromethyl)anilino]-3,4-dioxocyclobuten-1-yl]amino]phenoxy]pyridine-2-carboxamide
CID 159662524
4-[4-[[2-(cyclopropylamino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 134274677
4-[4-[[2-(dimethylamino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 138743717
N-methyl-4-[4-[(4-methylphenyl)carbamothioylamino]phenoxy]pyridine-2-carboxamide
CID 141473965
4-[4-[(2-fluoro-5-iodophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 138743251
4-[4-[[5-(1,1-difluoroethyl)-2-fluorophenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(4-[3-fluoro-4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide);bis(4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide);N-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 159371005
4-[4-[(2,5-difluorophenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 131953293
4-[4-[(2-fluoro-5-methylsulfonylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58919764
4-[4-[(4-fluorophenyl)carbamothioylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 46842980
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
4-[4-[[2-[2-fluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]-2-oxoethyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 138743264
4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
CID 141417735

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(2-fluoro-5-methylanilino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[[2-(2-fluoro-5-methylanilino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide (CID 138743714) is 4-[4-[[2-(2-fluoro-5-methylanilino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[2-(2-fluoro-5-methylanilino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[2-(2-fluoro-5-methylanilino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(Nc3c(Nc4cc(C)ccc4F)c(=O)c3=O)cc2)ccn1.
What is the InChIKey of 4-[4-[[2-(2-fluoro-5-methylanilino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is PUGMDSUEPFLGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O4/c1-13-3-8-17(25)18(11-13)29-21-20(22(30)23(21)31)28-14-4-6-15(7-5-14)33-16-9-10-27-19(12-16)24(32)26-2/h3-12,28-29H,1-2H3,(H,26,32).
What are the key properties of 4-[4-[[2-(2-fluoro-5-methylanilino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[[2-(2-fluoro-5-methylanilino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 446.44 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(2-fluoro-5-methylanilino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 138743714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).