5-(1,2,4-oxadiazol-3-yl)-2-pyridin-3-ylpiperazine-1-carboxamide

C12H14N6O2 — CID 169088541

IUPAC5-(1,2,4-oxadiazol-3-yl)-2-pyridin-3-ylpiperazine-1-carboxamide
SMILESNC(=O)N1CC(c2ncon2)NCC1c1cccnc1
InChIInChI=1S/C12H14N6O2/c13-12(19)18-6-9(11-16-7-20-17-11)15-5-10(18)8-2-1-3-14-4-8/h1-4,7,9-10,15H,5-6H2,(H2,13,19)
InChIKeyHOJUPDDVYWKUPD-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.23
Rot. Bonds2

About 5-(1,2,4-oxadiazol-3-yl)-2-pyridin-3-ylpiperazine-1-carboxamide

5-(1,2,4-oxadiazol-3-yl)-2-pyridin-3-ylpiperazine-1-carboxamide (PubChem CID 169088541) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-(1,2,4-oxadiazol-3-yl)-2-pyridin-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name5-(1,2,4-oxadiazol-3-yl)-2-pyridin-3-ylpiperazine-1-carboxamide
PubChem CID169088541
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name5-(1,2,4-oxadiazol-3-yl)-2-pyridin-3-ylpiperazine-1-carboxamide
SMILESNC(=O)N1CC(c2ncon2)NCC1c1cccnc1
InChIInChI=1S/C12H14N6O2/c13-12(19)18-6-9(11-16-7-20-17-11)15-5-10(18)8-2-1-3-14-4-8/h1-4,7,9-10,15H,5-6H2,(H2,13,19)
InChIKeyHOJUPDDVYWKUPD-UHFFFAOYSA-N
XLogP0.23
TPSA110.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,4-oxadiazol-3-yl)-2-pyridin-3-ylpiperazine-1-carboxamide?
The IUPAC name of 5-(1,2,4-oxadiazol-3-yl)-2-pyridin-3-ylpiperazine-1-carboxamide (CID 169088541) is 5-(1,2,4-oxadiazol-3-yl)-2-pyridin-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for 5-(1,2,4-oxadiazol-3-yl)-2-pyridin-3-ylpiperazine-1-carboxamide?
The canonical SMILES for 5-(1,2,4-oxadiazol-3-yl)-2-pyridin-3-ylpiperazine-1-carboxamide is NC(=O)N1CC(c2ncon2)NCC1c1cccnc1.
What is the InChIKey of 5-(1,2,4-oxadiazol-3-yl)-2-pyridin-3-ylpiperazine-1-carboxamide?
The InChIKey is HOJUPDDVYWKUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c13-12(19)18-6-9(11-16-7-20-17-11)15-5-10(18)8-2-1-3-14-4-8/h1-4,7,9-10,15H,5-6H2,(H2,13,19).
What are the key properties of 5-(1,2,4-oxadiazol-3-yl)-2-pyridin-3-ylpiperazine-1-carboxamide?
5-(1,2,4-oxadiazol-3-yl)-2-pyridin-3-ylpiperazine-1-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,4-oxadiazol-3-yl)-2-pyridin-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 169088541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).