4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

C26H21F3N6O3 — CID 58263508

IUPAC4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESC=Cc1nccn1-c1ccc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)cc1C(F)(F)F
InChIInChI=1S/C26H21F3N6O3/c1-3-23-32-12-13-35(23)22-9-6-17(14-20(22)26(27,28)29)34-25(37)33-16-4-7-18(8-5-16)38-19-10-11-31-21(15-19)24(36)30-2/h3-15H,1H2,2H3,(H,30,36)(H2,33,34,37)
InChIKeyGTFZPBXEMWYQCR-UHFFFAOYSA-N
MW522.49 g/mol
LogP5.72
Rot. Bonds7

About 4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 58263508) has the molecular formula C26H21F3N6O3 and a molecular weight of 522.49 g/mol. Its IUPAC name is 4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID58263508
Molecular FormulaC26H21F3N6O3
Molecular Weight522.49 g/mol
Exact Mass522.16
IUPAC Name4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESC=Cc1nccn1-c1ccc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)cc1C(F)(F)F
InChIInChI=1S/C26H21F3N6O3/c1-3-23-32-12-13-35(23)22-9-6-17(14-20(22)26(27,28)29)34-25(37)33-16-4-7-18(8-5-16)38-19-10-11-31-21(15-19)24(36)30-2/h3-15H,1H2,2H3,(H,30,36)(H2,33,34,37)
InChIKeyGTFZPBXEMWYQCR-UHFFFAOYSA-N
XLogP5.72
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.49
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;ethane;ethenylphosphane
CID 143776464
4-[4-[[4-(3-fluoro-6-oxopyridazin-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58264103
butanedioic acid;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 44598971
4-[4-[[4-(2,4-difluoropyrimidin-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58264095
4-[4-[[4-(2,4-difluoropyridine-3-carbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58263834
N-methyl-4-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 11540549
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;naphthalene-1,5-disulfonic acid
CID 53258874
N-methyl-4-[2-methyl-4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 142963034
4-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 138743676
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (CID 58263508) is 4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is C=Cc1nccn1-c1ccc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)cc1C(F)(F)F.
What is the InChIKey of 4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is GTFZPBXEMWYQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6O3/c1-3-23-32-12-13-35(23)22-9-6-17(14-20(22)26(27,28)29)34-25(37)33-16-4-7-18(8-5-16)38-19-10-11-31-21(15-19)24(36)30-2/h3-15H,1H2,2H3,(H,30,36)(H2,33,34,37).
What are the key properties of 4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 522.49 g/mol, XLogP of 5.72, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 58263508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).