N-[5-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide

C17H19F3N6O2 — CID 163356553

IUPACN-[5-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)cn1)C1CC1
InChIInChI=1S/C17H19F3N6O2/c18-17(19,20)16-24-23-14(28-16)10-25-5-7-26(8-6-25)12-3-4-13(21-9-12)22-15(27)11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H,21,22,27)
InChIKeyHLUYLOISFQYOCL-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.15
Rot. Bonds5

About N-[5-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide

N-[5-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 163356553) has the molecular formula C17H19F3N6O2 and a molecular weight of 396.37 g/mol. Its IUPAC name is N-[5-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID163356553
Molecular FormulaC17H19F3N6O2
Molecular Weight396.37 g/mol
Exact Mass396.15
IUPAC NameN-[5-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)cn1)C1CC1
InChIInChI=1S/C17H19F3N6O2/c18-17(19,20)16-24-23-14(28-16)10-25-5-7-26(8-6-25)12-3-4-13(21-9-12)22-15(27)11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H,21,22,27)
InChIKeyHLUYLOISFQYOCL-UHFFFAOYSA-N
XLogP2.15
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide (CID 163356553) is N-[5-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide is O=C(Nc1ccc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)cn1)C1CC1.
What is the InChIKey of N-[5-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is HLUYLOISFQYOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6O2/c18-17(19,20)16-24-23-14(28-16)10-25-5-7-26(8-6-25)12-3-4-13(21-9-12)22-15(27)11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H,21,22,27).
What are the key properties of N-[5-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide?
N-[5-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 396.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 163356553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).