3-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide

C12H12FN5O2 — CID 102703227

IUPAC3-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nnc(C2CCCN2)o1)c1ccncc1F
InChIInChI=1S/C12H12FN5O2/c13-8-6-14-5-3-7(8)10(19)16-12-18-17-11(20-12)9-2-1-4-15-9/h3,5-6,9,15H,1-2,4H2,(H,16,18,19)
InChIKeySULCPCUSCWNRIS-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.28
Rot. Bonds3

About 3-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide

3-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide (PubChem CID 102703227) has the molecular formula C12H12FN5O2 and a molecular weight of 277.26 g/mol. Its IUPAC name is 3-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
PubChem CID102703227
Molecular FormulaC12H12FN5O2
Molecular Weight277.26 g/mol
Exact Mass277.10
IUPAC Name3-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nnc(C2CCCN2)o1)c1ccncc1F
InChIInChI=1S/C12H12FN5O2/c13-8-6-14-5-3-7(8)10(19)16-12-18-17-11(20-12)9-2-1-4-15-9/h3,5-6,9,15H,1-2,4H2,(H,16,18,19)
InChIKeySULCPCUSCWNRIS-UHFFFAOYSA-N
XLogP1.28
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide (CID 102703227) is 3-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide is O=C(Nc1nnc(C2CCCN2)o1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is SULCPCUSCWNRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O2/c13-8-6-14-5-3-7(8)10(19)16-12-18-17-11(20-12)9-2-1-4-15-9/h3,5-6,9,15H,1-2,4H2,(H,16,18,19).
What are the key properties of 3-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide?
3-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 277.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 102703227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).