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

C30H25F3N4O2 — CID 24967637

IUPAC4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCC(=C(c2ccccc2)c2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
InChIInChI=1S/C30H25F3N4O2/c31-30(32,33)24-11-12-27(35-19-24)39-26-10-4-8-23(18-26)28(21-6-2-1-3-7-21)22-13-16-37(17-14-22)29(38)36-25-9-5-15-34-20-25/h1-12,15,18-20H,13-14,16-17H2,(H,36,38)
InChIKeyVOHMETMIPSIDSY-UHFFFAOYSA-N
MW530.55 g/mol
LogP7.42
Rot. Bonds5

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

4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 24967637) has the molecular formula C30H25F3N4O2 and a molecular weight of 530.55 g/mol. Its IUPAC name is 4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID24967637
Molecular FormulaC30H25F3N4O2
Molecular Weight530.55 g/mol
Exact Mass530.19
IUPAC Name4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCC(=C(c2ccccc2)c2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
InChIInChI=1S/C30H25F3N4O2/c31-30(32,33)24-11-12-27(35-19-24)39-26-10-4-8-23(18-26)28(21-6-2-1-3-7-21)22-13-16-37(17-14-22)29(38)36-25-9-5-15-34-20-25/h1-12,15,18-20H,13-14,16-17H2,(H,36,38)
InChIKeyVOHMETMIPSIDSY-UHFFFAOYSA-N
XLogP7.42
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.55
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide (CID 24967637) is 4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide is O=C(Nc1cccnc1)N1CCC(=C(c2ccccc2)c2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.
What is the InChIKey of 4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is VOHMETMIPSIDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N4O2/c31-30(32,33)24-11-12-27(35-19-24)39-26-10-4-8-23(18-26)28(21-6-2-1-3-7-21)22-13-16-37(17-14-22)29(38)36-25-9-5-15-34-20-25/h1-12,15,18-20H,13-14,16-17H2,(H,36,38).
What are the key properties of 4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide?
4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 530.55 g/mol, XLogP of 7.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 24967637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).