4-[[3-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-2-ylpiperidine-1-carboxamide

C24H20F4N4O2 — CID 123750885

IUPAC4-[[3-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-2-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccn1)N1CCC(=Cc2cc(F)cc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
InChIInChI=1S/C24H20F4N4O2/c25-19-12-17(13-20(14-19)34-22-5-4-18(15-30-22)24(26,27)28)11-16-6-9-32(10-7-16)23(33)31-21-3-1-2-8-29-21/h1-5,8,11-15H,6-7,9-10H2,(H,29,31,33)
InChIKeyUSJQXMGPSNILBZ-UHFFFAOYSA-N
MW472.44 g/mol
LogP6.14
Rot. Bonds4

About 4-[[3-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-2-ylpiperidine-1-carboxamide

4-[[3-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-2-ylpiperidine-1-carboxamide (PubChem CID 123750885) has the molecular formula C24H20F4N4O2 and a molecular weight of 472.44 g/mol. Its IUPAC name is 4-[[3-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-2-ylpiperidine-1-carboxamide
PubChem CID123750885
Molecular FormulaC24H20F4N4O2
Molecular Weight472.44 g/mol
Exact Mass472.15
IUPAC Name4-[[3-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-2-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccn1)N1CCC(=Cc2cc(F)cc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
InChIInChI=1S/C24H20F4N4O2/c25-19-12-17(13-20(14-19)34-22-5-4-18(15-30-22)24(26,27)28)11-16-6-9-32(10-7-16)23(33)31-21-3-1-2-8-29-21/h1-5,8,11-15H,6-7,9-10H2,(H,29,31,33)
InChIKeyUSJQXMGPSNILBZ-UHFFFAOYSA-N
XLogP6.14
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.44
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[[3-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-2-ylpiperidine-1-carboxamide (CID 123750885) is 4-[[3-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[3-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[3-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-2-ylpiperidine-1-carboxamide is O=C(Nc1ccccn1)N1CCC(=Cc2cc(F)cc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.
What is the InChIKey of 4-[[3-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-2-ylpiperidine-1-carboxamide?
The InChIKey is USJQXMGPSNILBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N4O2/c25-19-12-17(13-20(14-19)34-22-5-4-18(15-30-22)24(26,27)28)11-16-6-9-32(10-7-16)23(33)31-21-3-1-2-8-29-21/h1-5,8,11-15H,6-7,9-10H2,(H,29,31,33).
What are the key properties of 4-[[3-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-2-ylpiperidine-1-carboxamide?
4-[[3-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-2-ylpiperidine-1-carboxamide has a molecular weight of 472.44 g/mol, XLogP of 6.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 123750885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).