2-(4-amino-3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

C22H25F5N4O — CID 25124356

IUPAC2-(4-amino-3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cc(F)c(N)c(F)c2)CC1
InChIInChI=1S/C22H25F5N4O/c1-12-5-7-31(8-6-12)20-14(3-4-18(30-20)22(25,26)27)11-29-21(32)13(2)15-9-16(23)19(28)17(24)10-15/h3-4,9-10,12-13H,5-8,11,28H2,1-2H3,(H,29,32)
InChIKeyKOJARYJLVZXXMB-UHFFFAOYSA-N
MW456.46 g/mol
LogP4.62
Rot. Bonds5

About 2-(4-amino-3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

2-(4-amino-3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (PubChem CID 25124356) has the molecular formula C22H25F5N4O and a molecular weight of 456.46 g/mol. Its IUPAC name is 2-(4-amino-3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-amino-3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
PubChem CID25124356
Molecular FormulaC22H25F5N4O
Molecular Weight456.46 g/mol
Exact Mass456.19
IUPAC Name2-(4-amino-3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cc(F)c(N)c(F)c2)CC1
InChIInChI=1S/C22H25F5N4O/c1-12-5-7-31(8-6-12)20-14(3-4-18(30-20)22(25,26)27)11-29-21(32)13(2)15-9-16(23)19(28)17(24)10-15/h3-4,9-10,12-13H,5-8,11,28H2,1-2H3,(H,29,32)
InChIKeyKOJARYJLVZXXMB-UHFFFAOYSA-N
XLogP4.62
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.46
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-(4-amino-3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (CID 25124356) is 2-(4-amino-3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-(4-amino-3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-(4-amino-3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cc(F)c(N)c(F)c2)CC1.
What is the InChIKey of 2-(4-amino-3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The InChIKey is KOJARYJLVZXXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F5N4O/c1-12-5-7-31(8-6-12)20-14(3-4-18(30-20)22(25,26)27)11-29-21(32)13(2)15-9-16(23)19(28)17(24)10-15/h3-4,9-10,12-13H,5-8,11,28H2,1-2H3,(H,29,32).
What are the key properties of 2-(4-amino-3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
2-(4-amino-3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide has a molecular weight of 456.46 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 25124356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).