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

C24H21F3N4O2 — CID 122516999

IUPAC2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cn1ccc2c(Oc3cc(CN)cc(C(F)(F)F)n3)cccc21)c1ccccc1
InChIInChI=1S/C24H21F3N4O2/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
InChIKeyBVKRPQCDGACLPX-UHFFFAOYSA-N
MW454.45 g/mol
LogP4.97
Rot. Bonds6

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

2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 122516999) has the molecular formula C24H21F3N4O2 and a molecular weight of 454.45 g/mol. Its IUPAC name is 2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide
PubChem CID122516999
Molecular FormulaC24H21F3N4O2
Molecular Weight454.45 g/mol
Exact Mass454.16
IUPAC Name2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cn1ccc2c(Oc3cc(CN)cc(C(F)(F)F)n3)cccc21)c1ccccc1
InChIInChI=1S/C24H21F3N4O2/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
InChIKeyBVKRPQCDGACLPX-UHFFFAOYSA-N
XLogP4.97
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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?
The IUPAC name of 2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide (CID 122516999) is 2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide is CN(C(=O)Cn1ccc2c(Oc3cc(CN)cc(C(F)(F)F)n3)cccc21)c1ccccc1.
What is the InChIKey of 2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is BVKRPQCDGACLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2/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.
What are the key properties of 2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide?
2-[4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]indol-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 454.45 g/mol, XLogP of 4.97, 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 is sourced from PubChem (CID 122516999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).