4-(4-fluorophenyl)-5-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]pyridine-2-carboxamide

C23H20F4N4O2 — CID 122539776

IUPAC4-(4-fluorophenyl)-5-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(N2CCC(Oc3ccnc(C(F)(F)F)c3)CC2)cn1
InChIInChI=1S/C23H20F4N4O2/c24-15-3-1-14(2-4-15)18-12-19(22(28)32)30-13-20(18)31-9-6-16(7-10-31)33-17-5-8-29-21(11-17)23(25,26)27/h1-5,8,11-13,16H,6-7,9-10H2,(H2,28,32)
InChIKeyAGBRVYXDDYNSBK-UHFFFAOYSA-N
MW460.43 g/mol
LogP4.45
Rot. Bonds5

About 4-(4-fluorophenyl)-5-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]pyridine-2-carboxamide

4-(4-fluorophenyl)-5-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 122539776) has the molecular formula C23H20F4N4O2 and a molecular weight of 460.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]pyridine-2-carboxamide
PubChem CID122539776
Molecular FormulaC23H20F4N4O2
Molecular Weight460.43 g/mol
Exact Mass460.15
IUPAC Name4-(4-fluorophenyl)-5-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(N2CCC(Oc3ccnc(C(F)(F)F)c3)CC2)cn1
InChIInChI=1S/C23H20F4N4O2/c24-15-3-1-14(2-4-15)18-12-19(22(28)32)30-13-20(18)31-9-6-16(7-10-31)33-17-5-8-29-21(11-17)23(25,26)27/h1-5,8,11-13,16H,6-7,9-10H2,(H2,28,32)
InChIKeyAGBRVYXDDYNSBK-UHFFFAOYSA-N
XLogP4.45
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]pyridine-2-carboxamide (CID 122539776) is 4-(4-fluorophenyl)-5-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c(N2CCC(Oc3ccnc(C(F)(F)F)c3)CC2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is AGBRVYXDDYNSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N4O2/c24-15-3-1-14(2-4-15)18-12-19(22(28)32)30-13-20(18)31-9-6-16(7-10-31)33-17-5-8-29-21(11-17)23(25,26)27/h1-5,8,11-13,16H,6-7,9-10H2,(H2,28,32).
What are the key properties of 4-(4-fluorophenyl)-5-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]pyridine-2-carboxamide?
4-(4-fluorophenyl)-5-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 460.43 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 122539776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).