4-[3-[[3-(2-amino-2-methylpropoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

C25H26F3N5O4 — CID 69491484

IUPAC4-[3-[[3-(2-amino-2-methylpropoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(NC(=O)Nc3cccc(OCC(C)(C)N)c3C(F)(F)F)c2)ccn1
InChIInChI=1S/C25H26F3N5O4/c1-24(2,29)14-36-20-9-5-8-18(21(20)25(26,27)28)33-23(35)32-15-6-4-7-16(12-15)37-17-10-11-31-19(13-17)22(34)30-3/h4-13H,14,29H2,1-3H3,(H,30,34)(H2,32,33,35)
InChIKeyQMAYSXZMUBQFGL-UHFFFAOYSA-N
MW517.51 g/mol
LogP5.01
Rot. Bonds8

About 4-[3-[[3-(2-amino-2-methylpropoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

4-[3-[[3-(2-amino-2-methylpropoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 69491484) has the molecular formula C25H26F3N5O4 and a molecular weight of 517.51 g/mol. Its IUPAC name is 4-[3-[[3-(2-amino-2-methylpropoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[[3-(2-amino-2-methylpropoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID69491484
Molecular FormulaC25H26F3N5O4
Molecular Weight517.51 g/mol
Exact Mass517.19
IUPAC Name4-[3-[[3-(2-amino-2-methylpropoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(NC(=O)Nc3cccc(OCC(C)(C)N)c3C(F)(F)F)c2)ccn1
InChIInChI=1S/C25H26F3N5O4/c1-24(2,29)14-36-20-9-5-8-18(21(20)25(26,27)28)33-23(35)32-15-6-4-7-16(12-15)37-17-10-11-31-19(13-17)22(34)30-3/h4-13H,14,29H2,1-3H3,(H,30,34)(H2,32,33,35)
InChIKeyQMAYSXZMUBQFGL-UHFFFAOYSA-N
XLogP5.01
TPSA127.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.51
LogP ≤ 55.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[4-[[3-(2-piperidin-4-ylethoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 11272937
N-methyl-4-[3-[[2-[2-(methylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58919866
N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 58968812
N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11408487
N-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide
CID 11476310
N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 157417733
4-[3-[[2-chloro-3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 69490349
4-[3-[[4-chloro-2-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58919817
N-methyl-4-[4-[[3-(1,1,2,2,2-pentafluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 131953278
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
4-[3-[2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11306141
N-methyl-4-[[2-[[3-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide
CID 175678406

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[3-(2-amino-2-methylpropoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[3-[[3-(2-amino-2-methylpropoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (CID 69491484) is 4-[3-[[3-(2-amino-2-methylpropoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[[3-(2-amino-2-methylpropoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-[[3-(2-amino-2-methylpropoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2cccc(NC(=O)Nc3cccc(OCC(C)(C)N)c3C(F)(F)F)c2)ccn1.
What is the InChIKey of 4-[3-[[3-(2-amino-2-methylpropoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is QMAYSXZMUBQFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O4/c1-24(2,29)14-36-20-9-5-8-18(21(20)25(26,27)28)33-23(35)32-15-6-4-7-16(12-15)37-17-10-11-31-19(13-17)22(34)30-3/h4-13H,14,29H2,1-3H3,(H,30,34)(H2,32,33,35).
What are the key properties of 4-[3-[[3-(2-amino-2-methylpropoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[3-[[3-(2-amino-2-methylpropoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 517.51 g/mol, XLogP of 5.01, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[3-(2-amino-2-methylpropoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 69491484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).