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);4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide);bis(N-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide)

C169H152F10N32O24 — CID 158925547

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);4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide);bis(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)c(F)c2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C)c3)cc2)ccn1
InChIInChI=1S/C22H19F3N4O3.2C21H18F2N4O3.3C21H19FN4O3.2C21H20N4O3/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;1-13-4-3-5-14(10-13)25-21(28)26-18-7-6-15(11-17(18)22)29-16-8-9-24-19(12-16)20(27)23-2;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);3*3-12H,1-2H3,(H,23,27)(H2,25,26,28);2*3-13H,1-2H3,(H,22,26)(H2,24,25,27)
InChIKeyJIJXBNHJCCEYJH-UHFFFAOYSA-N
MW3205.25 g/mol
LogP35.40
Rot. Bonds41

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);4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide);bis(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);4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide);bis(N-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide) (PubChem CID 158925547) has the molecular formula C169H152F10N32O24 and a molecular weight of 3205.25 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);4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide);bis(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);4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide);bis(N-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide)
PubChem CID158925547
Molecular FormulaC169H152F10N32O24
Molecular Weight3205.25 g/mol
Exact Mass3203.15
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);4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide);bis(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)c(F)c2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C)c3)cc2)ccn1
InChIInChI=1S/C22H19F3N4O3.2C21H18F2N4O3.3C21H19FN4O3.2C21H20N4O3/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;1-13-4-3-5-14(10-13)25-21(28)26-18-7-6-15(11-17(18)22)29-16-8-9-24-19(12-16)20(27)23-2;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);3*3-12H,1-2H3,(H,23,27)(H2,25,26,28);2*3-13H,1-2H3,(H,22,26)(H2,24,25,27)
InChIKeyJIJXBNHJCCEYJH-UHFFFAOYSA-N
XLogP35.40
TPSA738.80 Ų
H-Bond Donors24
H-Bond Acceptors32
Rotatable Bonds41
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003205.25
LogP ≤ 535.40
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1032

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);4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide);bis(N-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide) with MolForge

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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);4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide);bis(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);4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide);bis(N-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide) (CID 158925547) 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);4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide);bis(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);4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide);bis(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);4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide);bis(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)c(F)c2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C)c3)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);4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide);bis(N-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide)?
The InChIKey is JIJXBNHJCCEYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O3.2C21H18F2N4O3.3C21H19FN4O3.2C21H20N4O3/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;1-13-4-3-5-14(10-13)25-21(28)26-18-7-6-15(11-17(18)22)29-16-8-9-24-19(12-16)20(27)23-2;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);3*3-12H,1-2H3,(H,23,27)(H2,25,26,28);2*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);4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide);bis(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);4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide);bis(N-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide) has a molecular weight of 3205.25 g/mol, XLogP of 35.40, 41 rotatable bonds, 24 hydrogen bond donors, and 32 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);4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide);bis(N-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide) is sourced from PubChem (CID 158925547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).