2-(4-acetamido-3-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

C24H28F4N4O2 — CID 25124040

IUPAC2-(4-acetamido-3-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC(=O)Nc1ccc(C(C)C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)cc1F
InChIInChI=1S/C24H28F4N4O2/c1-14-8-10-32(11-9-14)22-18(5-7-21(31-22)24(26,27)28)13-29-23(34)15(2)17-4-6-20(19(25)12-17)30-16(3)33/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,29,34)(H,30,33)
InChIKeyHYBSWJLMINBBRB-UHFFFAOYSA-N
MW480.51 g/mol
LogP4.85
Rot. Bonds6

About 2-(4-acetamido-3-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

2-(4-acetamido-3-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (PubChem CID 25124040) has the molecular formula C24H28F4N4O2 and a molecular weight of 480.51 g/mol. Its IUPAC name is 2-(4-acetamido-3-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-acetamido-3-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
PubChem CID25124040
Molecular FormulaC24H28F4N4O2
Molecular Weight480.51 g/mol
Exact Mass480.21
IUPAC Name2-(4-acetamido-3-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC(=O)Nc1ccc(C(C)C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)cc1F
InChIInChI=1S/C24H28F4N4O2/c1-14-8-10-32(11-9-14)22-18(5-7-21(31-22)24(26,27)28)13-29-23(34)15(2)17-4-6-20(19(25)12-17)30-16(3)33/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,29,34)(H,30,33)
InChIKeyHYBSWJLMINBBRB-UHFFFAOYSA-N
XLogP4.85
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamido-3-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-(4-acetamido-3-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (CID 25124040) is 2-(4-acetamido-3-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-(4-acetamido-3-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-(4-acetamido-3-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is CC(=O)Nc1ccc(C(C)C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)cc1F.
What is the InChIKey of 2-(4-acetamido-3-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The InChIKey is HYBSWJLMINBBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N4O2/c1-14-8-10-32(11-9-14)22-18(5-7-21(31-22)24(26,27)28)13-29-23(34)15(2)17-4-6-20(19(25)12-17)30-16(3)33/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,29,34)(H,30,33).
What are the key properties of 2-(4-acetamido-3-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
2-(4-acetamido-3-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide has a molecular weight of 480.51 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamido-3-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 25124040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).