N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluoropyridine-2-carboxamide

C11H9FN4O2 — CID 115497118

IUPACN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluoropyridine-2-carboxamide
SMILESO=C(Nc1nnc(C2CC2)o1)c1cccc(F)n1
InChIInChI=1S/C11H9FN4O2/c12-8-3-1-2-7(13-8)9(17)14-11-16-15-10(18-11)6-4-5-6/h1-3,6H,4-5H2,(H,14,16,17)
InChIKeyFSRVJMDNGVDQND-UHFFFAOYSA-N
MW248.22 g/mol
LogP1.73
Rot. Bonds3

About N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluoropyridine-2-carboxamide

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluoropyridine-2-carboxamide (PubChem CID 115497118) has the molecular formula C11H9FN4O2 and a molecular weight of 248.22 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluoropyridine-2-carboxamide
PubChem CID115497118
Molecular FormulaC11H9FN4O2
Molecular Weight248.22 g/mol
Exact Mass248.07
IUPAC NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluoropyridine-2-carboxamide
SMILESO=C(Nc1nnc(C2CC2)o1)c1cccc(F)n1
InChIInChI=1S/C11H9FN4O2/c12-8-3-1-2-7(13-8)9(17)14-11-16-15-10(18-11)6-4-5-6/h1-3,6H,4-5H2,(H,14,16,17)
InChIKeyFSRVJMDNGVDQND-UHFFFAOYSA-N
XLogP1.73
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluoropyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluoropyridine-2-carboxamide (CID 115497118) is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluoropyridine-2-carboxamide is O=C(Nc1nnc(C2CC2)o1)c1cccc(F)n1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluoropyridine-2-carboxamide?
The InChIKey is FSRVJMDNGVDQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O2/c12-8-3-1-2-7(13-8)9(17)14-11-16-15-10(18-11)6-4-5-6/h1-3,6H,4-5H2,(H,14,16,17).
What are the key properties of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluoropyridine-2-carboxamide?
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluoropyridine-2-carboxamide has a molecular weight of 248.22 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 115497118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).