2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide;hydrochloride

C24H22ClF3N4O2 — CID 122517069

IUPAC2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide;hydrochloride
SMILESCN(C(=O)Cn1ccc2c(Oc3cc(CN)cc(C(F)(F)F)n3)cccc21)c1ccccc1.Cl
InChIInChI=1S/C24H21F3N4O2.ClH/c1-30(17-6-3-2-4-7-17)23(32)15-31-11-10-18-19(31)8-5-9-20(18)33-22-13-16(14-28)12-21(29-22)24(25,26)27;/h2-13H,14-15,28H2,1H3;1H
InChIKeyVBMSGXJRXCPOGC-UHFFFAOYSA-N
MW490.91 g/mol
LogP5.39
Rot. Bonds6

About 2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide;hydrochloride

2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide;hydrochloride (PubChem CID 122517069) has the molecular formula C24H22ClF3N4O2 and a molecular weight of 490.91 g/mol. Its IUPAC name is 2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide;hydrochloride
PubChem CID122517069
Molecular FormulaC24H22ClF3N4O2
Molecular Weight490.91 g/mol
Exact Mass490.14
IUPAC Name2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide;hydrochloride
SMILESCN(C(=O)Cn1ccc2c(Oc3cc(CN)cc(C(F)(F)F)n3)cccc21)c1ccccc1.Cl
InChIInChI=1S/C24H21F3N4O2.ClH/c1-30(17-6-3-2-4-7-17)23(32)15-31-11-10-18-19(31)8-5-9-20(18)33-22-13-16(14-28)12-21(29-22)24(25,26)27;/h2-13H,14-15,28H2,1H3;1H
InChIKeyVBMSGXJRXCPOGC-UHFFFAOYSA-N
XLogP5.39
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.91
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide;hydrochloride?
The IUPAC name of 2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide;hydrochloride (CID 122517069) is 2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide;hydrochloride?
The canonical SMILES for 2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide;hydrochloride is CN(C(=O)Cn1ccc2c(Oc3cc(CN)cc(C(F)(F)F)n3)cccc21)c1ccccc1.Cl.
What is the InChIKey of 2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide;hydrochloride?
The InChIKey is VBMSGXJRXCPOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2.ClH/c1-30(17-6-3-2-4-7-17)23(32)15-31-11-10-18-19(31)8-5-9-20(18)33-22-13-16(14-28)12-21(29-22)24(25,26)27;/h2-13H,14-15,28H2,1H3;1H.
What are the key properties of 2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide;hydrochloride?
2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide;hydrochloride has a molecular weight of 490.91 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide;hydrochloride is sourced from PubChem (CID 122517069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).