4-amino-N-[2-(pyridin-4-ylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide

C11H14N6O2 — CID 2712481

IUPAC4-amino-N-[2-(pyridin-4-ylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCCNCc1ccncc1
InChIInChI=1S/C11H14N6O2/c12-10-9(16-19-17-10)11(18)15-6-5-14-7-8-1-3-13-4-2-8/h1-4,14H,5-7H2,(H2,12,17)(H,15,18)
InChIKeyADXNXKSIWODFJW-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.43
Rot. Bonds6

About 4-amino-N-[2-(pyridin-4-ylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[2-(pyridin-4-ylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 2712481) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-amino-N-[2-(pyridin-4-ylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(pyridin-4-ylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID2712481
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name4-amino-N-[2-(pyridin-4-ylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCCNCc1ccncc1
InChIInChI=1S/C11H14N6O2/c12-10-9(16-19-17-10)11(18)15-6-5-14-7-8-1-3-13-4-2-8/h1-4,14H,5-7H2,(H2,12,17)(H,15,18)
InChIKeyADXNXKSIWODFJW-UHFFFAOYSA-N
XLogP-0.43
TPSA118.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(pyridin-4-ylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(pyridin-4-ylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide (CID 2712481) is 4-amino-N-[2-(pyridin-4-ylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(pyridin-4-ylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(pyridin-4-ylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NCCNCc1ccncc1.
What is the InChIKey of 4-amino-N-[2-(pyridin-4-ylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is ADXNXKSIWODFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c12-10-9(16-19-17-10)11(18)15-6-5-14-7-8-1-3-13-4-2-8/h1-4,14H,5-7H2,(H2,12,17)(H,15,18).
What are the key properties of 4-amino-N-[2-(pyridin-4-ylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[2-(pyridin-4-ylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 262.27 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(pyridin-4-ylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 2712481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).