N-phenyl-6-[4-[[3-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyridine-3-carboxamide

C25H24F3N3O2 — CID 44527398

IUPACN-phenyl-6-[4-[[3-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(N2CCC(COc3cccc(C(F)(F)F)c3)CC2)nc1
InChIInChI=1S/C25H24F3N3O2/c26-25(27,28)20-5-4-8-22(15-20)33-17-18-11-13-31(14-12-18)23-10-9-19(16-29-23)24(32)30-21-6-2-1-3-7-21/h1-10,15-16,18H,11-14,17H2,(H,30,32)
InChIKeyYZFBYJZUIWVHKV-UHFFFAOYSA-N
MW455.48 g/mol
LogP5.65
Rot. Bonds6

About N-phenyl-6-[4-[[3-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyridine-3-carboxamide

N-phenyl-6-[4-[[3-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 44527398) has the molecular formula C25H24F3N3O2 and a molecular weight of 455.48 g/mol. Its IUPAC name is N-phenyl-6-[4-[[3-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-6-[4-[[3-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID44527398
Molecular FormulaC25H24F3N3O2
Molecular Weight455.48 g/mol
Exact Mass455.18
IUPAC NameN-phenyl-6-[4-[[3-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(N2CCC(COc3cccc(C(F)(F)F)c3)CC2)nc1
InChIInChI=1S/C25H24F3N3O2/c26-25(27,28)20-5-4-8-22(15-20)33-17-18-11-13-31(14-12-18)23-10-9-19(16-29-23)24(32)30-21-6-2-1-3-7-21/h1-10,15-16,18H,11-14,17H2,(H,30,32)
InChIKeyYZFBYJZUIWVHKV-UHFFFAOYSA-N
XLogP5.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.48
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-[4-[[3-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-phenyl-6-[4-[[3-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyridine-3-carboxamide (CID 44527398) is N-phenyl-6-[4-[[3-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-phenyl-6-[4-[[3-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-phenyl-6-[4-[[3-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyridine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(N2CCC(COc3cccc(C(F)(F)F)c3)CC2)nc1.
What is the InChIKey of N-phenyl-6-[4-[[3-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is YZFBYJZUIWVHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O2/c26-25(27,28)20-5-4-8-22(15-20)33-17-18-11-13-31(14-12-18)23-10-9-19(16-29-23)24(32)30-21-6-2-1-3-7-21/h1-10,15-16,18H,11-14,17H2,(H,30,32).
What are the key properties of N-phenyl-6-[4-[[3-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyridine-3-carboxamide?
N-phenyl-6-[4-[[3-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 455.48 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-[4-[[3-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 44527398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).