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

C12H12BrN5O2 — CID 102703521

IUPAC5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nnc(C2CCCN2)o1)c1cncc(Br)c1
InChIInChI=1S/C12H12BrN5O2/c13-8-4-7(5-14-6-8)10(19)16-12-18-17-11(20-12)9-2-1-3-15-9/h4-6,9,15H,1-3H2,(H,16,18,19)
InChIKeyLHAUYXCRFPGOEA-UHFFFAOYSA-N
MW338.17 g/mol
LogP1.90
Rot. Bonds3

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

5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 102703521) has the molecular formula C12H12BrN5O2 and a molecular weight of 338.17 g/mol. Its IUPAC name is 5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
PubChem CID102703521
Molecular FormulaC12H12BrN5O2
Molecular Weight338.17 g/mol
Exact Mass337.02
IUPAC Name5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nnc(C2CCCN2)o1)c1cncc(Br)c1
InChIInChI=1S/C12H12BrN5O2/c13-8-4-7(5-14-6-8)10(19)16-12-18-17-11(20-12)9-2-1-3-15-9/h4-6,9,15H,1-3H2,(H,16,18,19)
InChIKeyLHAUYXCRFPGOEA-UHFFFAOYSA-N
XLogP1.90
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
CID 102703170
3-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
CID 102703227
5-bromo-2-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
CID 61998743
6-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
CID 66464481
N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide
CID 102703101
5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
CID 102703137
2-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
CID 102703203
N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
CID 102703255
2-pyridin-4-yl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 102703276
4-bromo-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide
CID 102703279
4-bromo-1-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide
CID 102703285
5-cyano-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide
CID 102703287

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide (CID 102703521) is 5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nnc(C2CCCN2)o1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is LHAUYXCRFPGOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5O2/c13-8-4-7(5-14-6-8)10(19)16-12-18-17-11(20-12)9-2-1-3-15-9/h4-6,9,15H,1-3H2,(H,16,18,19).
What are the key properties of 5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide?
5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 338.17 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 102703521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).