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

C127H113F9N24O18 — CID 159371005

IUPAC4-[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
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(F)F)ccc3F)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C)ccc3F)c(F)c2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C)ccc3F)c(F)c2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C)c3)cc2)ccn1
InChIInChI=1S/C22H19F3N4O3.2C21H18F2N4O3.2C21H19FN4O3.C21H20N4O3/c1-22(24,25)13-3-8-17(23)18(11-13)29-21(31)28-14-4-6-15(7-5-14)32-16-9-10-27-19(12-16)20(30)26-2;2*1-12-3-5-15(22)18(9-12)27-21(29)26-17-6-4-13(10-16(17)23)30-14-7-8-25-19(11-14)20(28)24-2;2*1-13-3-8-17(22)18(11-13)26-21(28)25-14-4-6-15(7-5-14)29-16-9-10-24-19(12-16)20(27)23-2;1-14-4-3-5-16(12-14)25-21(27)24-15-6-8-17(9-7-15)28-18-10-11-23-19(13-18)20(26)22-2/h3-12H,1-2H3,(H,26,30)(H2,28,29,31);2*3-11H,1-2H3,(H,24,28)(H2,26,27,29);2*3-12H,1-2H3,(H,23,27)(H2,25,26,28);3-13H,1-2H3,(H,22,26)(H2,24,25,27)
InChIKeyLJSZELBGUPAKOK-UHFFFAOYSA-N
MW2434.43 g/mol
LogP26.89
Rot. Bonds31

About 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

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 (PubChem CID 159371005) has the molecular formula C127H113F9N24O18 and a molecular weight of 2434.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID159371005
Molecular FormulaC127H113F9N24O18
Molecular Weight2434.43 g/mol
Exact Mass2432.85
IUPAC Name4-[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
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(F)F)ccc3F)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C)ccc3F)c(F)c2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C)ccc3F)c(F)c2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C)c3)cc2)ccn1
InChIInChI=1S/C22H19F3N4O3.2C21H18F2N4O3.2C21H19FN4O3.C21H20N4O3/c1-22(24,25)13-3-8-17(23)18(11-13)29-21(31)28-14-4-6-15(7-5-14)32-16-9-10-27-19(12-16)20(30)26-2;2*1-12-3-5-15(22)18(9-12)27-21(29)26-17-6-4-13(10-16(17)23)30-14-7-8-25-19(11-14)20(28)24-2;2*1-13-3-8-17(22)18(11-13)26-21(28)25-14-4-6-15(7-5-14)29-16-9-10-24-19(12-16)20(27)23-2;1-14-4-3-5-16(12-14)25-21(27)24-15-6-8-17(9-7-15)28-18-10-11-23-19(13-18)20(26)22-2/h3-12H,1-2H3,(H,26,30)(H2,28,29,31);2*3-11H,1-2H3,(H,24,28)(H2,26,27,29);2*3-12H,1-2H3,(H,23,27)(H2,25,26,28);3-13H,1-2H3,(H,22,26)(H2,24,25,27)
InChIKeyLJSZELBGUPAKOK-UHFFFAOYSA-N
XLogP26.89
TPSA554.10 Ų
H-Bond Donors18
H-Bond Acceptors24
Rotatable Bonds31
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002434.43
LogP ≤ 526.89
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1024

Analyze 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 with MolForge

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Related Compounds

4-[3-fluoro-4-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[[2-fluoro-5-(1,1,2,2,3,3-hexafluorobutyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[[2-fluoro-5-(1,1,2,2-tetrafluoropropyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[[2-fluoro-5-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,3,3,4,4,4-hexafluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 159725073
4-[4-[[[5-(1,1-difluoroethyl)-2-fluorophenyl]carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 142886768
4-[4-[(2,5-difluorophenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 131953293
N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 157417733
N-methyl-4-[4-[[2-methyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 143505922
4-[4-[(2-fluoro-5-iodophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 138743251
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
4-[4-[(3-chlorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002051
N-methyl-4-[4-[[3-(1,1,2,2,2-pentafluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 131953278
4-[4-[[2-hydroxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58919812
4-[4-[(2-fluoro-5-methylsulfonylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58919764
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(F)F)ccc3F)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C)ccc3F)c(F)c2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C)ccc3F)c(F)c2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C)c3)cc2)ccn1.
What is the InChIKey of 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?
The InChIKey is LJSZELBGUPAKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O3.2C21H18F2N4O3.2C21H19FN4O3.C21H20N4O3/c1-22(24,25)13-3-8-17(23)18(11-13)29-21(31)28-14-4-6-15(7-5-14)32-16-9-10-27-19(12-16)20(30)26-2;2*1-12-3-5-15(22)18(9-12)27-21(29)26-17-6-4-13(10-16(17)23)30-14-7-8-25-19(11-14)20(28)24-2;2*1-13-3-8-17(22)18(11-13)26-21(28)25-14-4-6-15(7-5-14)29-16-9-10-24-19(12-16)20(27)23-2;1-14-4-3-5-16(12-14)25-21(27)24-15-6-8-17(9-7-15)28-18-10-11-23-19(13-18)20(26)22-2/h3-12H,1-2H3,(H,26,30)(H2,28,29,31);2*3-11H,1-2H3,(H,24,28)(H2,26,27,29);2*3-12H,1-2H3,(H,23,27)(H2,25,26,28);3-13H,1-2H3,(H,22,26)(H2,24,25,27).
What are the key properties of 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?
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 has a molecular weight of 2434.43 g/mol, XLogP of 26.89, 31 rotatable bonds, 18 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159371005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).