4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide

C21H23FN6O2 — CID 53134100

IUPAC4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCCc1nnc(-c2cccnc2N2CCN(C(=O)NCc3cccc(F)c3)CC2)o1
InChIInChI=1S/C21H23FN6O2/c1-2-18-25-26-20(30-18)17-7-4-8-23-19(17)27-9-11-28(12-10-27)21(29)24-14-15-5-3-6-16(22)13-15/h3-8,13H,2,9-12,14H2,1H3,(H,24,29)
InChIKeyGTTYBHURZCUISJ-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.86
Rot. Bonds5

About 4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide

4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 53134100) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID53134100
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCCc1nnc(-c2cccnc2N2CCN(C(=O)NCc3cccc(F)c3)CC2)o1
InChIInChI=1S/C21H23FN6O2/c1-2-18-25-26-20(30-18)17-7-4-8-23-19(17)27-9-11-28(12-10-27)21(29)24-14-15-5-3-6-16(22)13-15/h3-8,13H,2,9-12,14H2,1H3,(H,24,29)
InChIKeyGTTYBHURZCUISJ-UHFFFAOYSA-N
XLogP2.86
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide (CID 53134100) is 4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide is CCc1nnc(-c2cccnc2N2CCN(C(=O)NCc3cccc(F)c3)CC2)o1.
What is the InChIKey of 4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is GTTYBHURZCUISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2/c1-2-18-25-26-20(30-18)17-7-4-8-23-19(17)27-9-11-28(12-10-27)21(29)24-14-15-5-3-6-16(22)13-15/h3-8,13H,2,9-12,14H2,1H3,(H,24,29).
What are the key properties of 4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide?
4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 53134100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).