6-[4-[2-[[2-hydroxyethyl(methyl)amino]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide

C23H22F3N3O3 — CID 86273072

IUPAC6-[4-[2-[[2-hydroxyethyl(methyl)amino]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
SMILESCN(CCO)Cc1cc(C(F)(F)F)ccc1Oc1ccc(-c2cccc(C(N)=O)n2)cc1
InChIInChI=1S/C23H22F3N3O3/c1-29(11-12-30)14-16-13-17(23(24,25)26)7-10-21(16)32-18-8-5-15(6-9-18)19-3-2-4-20(28-19)22(27)31/h2-10,13,30H,11-12,14H2,1H3,(H2,27,31)
InChIKeyXLJYZHKZQQHGJH-UHFFFAOYSA-N
MW445.44 g/mol
LogP4.08
Rot. Bonds8

About 6-[4-[2-[[2-hydroxyethyl(methyl)amino]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide

6-[4-[2-[[2-hydroxyethyl(methyl)amino]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide (PubChem CID 86273072) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is 6-[4-[2-[[2-hydroxyethyl(methyl)amino]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[2-[[2-hydroxyethyl(methyl)amino]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
PubChem CID86273072
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC Name6-[4-[2-[[2-hydroxyethyl(methyl)amino]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
SMILESCN(CCO)Cc1cc(C(F)(F)F)ccc1Oc1ccc(-c2cccc(C(N)=O)n2)cc1
InChIInChI=1S/C23H22F3N3O3/c1-29(11-12-30)14-16-13-17(23(24,25)26)7-10-21(16)32-18-8-5-15(6-9-18)19-3-2-4-20(28-19)22(27)31/h2-10,13,30H,11-12,14H2,1H3,(H2,27,31)
InChIKeyXLJYZHKZQQHGJH-UHFFFAOYSA-N
XLogP4.08
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[[2-hydroxyethyl(methyl)amino]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-[2-[[2-hydroxyethyl(methyl)amino]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide (CID 86273072) is 6-[4-[2-[[2-hydroxyethyl(methyl)amino]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-[2-[[2-hydroxyethyl(methyl)amino]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-[2-[[2-hydroxyethyl(methyl)amino]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide is CN(CCO)Cc1cc(C(F)(F)F)ccc1Oc1ccc(-c2cccc(C(N)=O)n2)cc1.
What is the InChIKey of 6-[4-[2-[[2-hydroxyethyl(methyl)amino]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The InChIKey is XLJYZHKZQQHGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3/c1-29(11-12-30)14-16-13-17(23(24,25)26)7-10-21(16)32-18-8-5-15(6-9-18)19-3-2-4-20(28-19)22(27)31/h2-10,13,30H,11-12,14H2,1H3,(H2,27,31).
What are the key properties of 6-[4-[2-[[2-hydroxyethyl(methyl)amino]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
6-[4-[2-[[2-hydroxyethyl(methyl)amino]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide has a molecular weight of 445.44 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[[2-hydroxyethyl(methyl)amino]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 86273072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).