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

C11H9FN4O2 — CID 170421282

IUPACN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoropyridine-2-carboxamide
SMILESO=C(Nc1nnc(C2CC2)o1)c1cc(F)ccn1
InChIInChI=1S/C11H9FN4O2/c12-7-3-4-13-8(5-7)9(17)14-11-16-15-10(18-11)6-1-2-6/h3-6H,1-2H2,(H,14,16,17)
InChIKeyBGKVQXBAMYTGSO-UHFFFAOYSA-N
MW248.22 g/mol
LogP1.73
Rot. Bonds3

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

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoropyridine-2-carboxamide (PubChem CID 170421282) 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)-4-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoropyridine-2-carboxamide
PubChem CID170421282
Molecular FormulaC11H9FN4O2
Molecular Weight248.22 g/mol
Exact Mass248.07
IUPAC NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoropyridine-2-carboxamide
SMILESO=C(Nc1nnc(C2CC2)o1)c1cc(F)ccn1
InChIInChI=1S/C11H9FN4O2/c12-7-3-4-13-8(5-7)9(17)14-11-16-15-10(18-11)6-1-2-6/h3-6H,1-2H2,(H,14,16,17)
InChIKeyBGKVQXBAMYTGSO-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

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoropyridine-2-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoropyridine-2-carboxamide (CID 170421282) is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoropyridine-2-carboxamide is O=C(Nc1nnc(C2CC2)o1)c1cc(F)ccn1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoropyridine-2-carboxamide?
The InChIKey is BGKVQXBAMYTGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O2/c12-7-3-4-13-8(5-7)9(17)14-11-16-15-10(18-11)6-1-2-6/h3-6H,1-2H2,(H,14,16,17).
What are the key properties of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoropyridine-2-carboxamide?
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-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)-4-fluoropyridine-2-carboxamide is sourced from PubChem (CID 170421282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).