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

C9H7BrN4O2 — CID 106399959

IUPAC5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ncon1)c1ccc(Br)cn1
InChIInChI=1S/C9H7BrN4O2/c10-6-1-2-7(11-3-6)9(15)12-4-8-13-5-16-14-8/h1-3,5H,4H2,(H,12,15)
InChIKeyJCWOOHFIXUNREN-UHFFFAOYSA-N
MW283.08 g/mol
LogP1.16
Rot. Bonds3

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

5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 106399959) has the molecular formula C9H7BrN4O2 and a molecular weight of 283.08 g/mol. Its IUPAC name is 5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide
PubChem CID106399959
Molecular FormulaC9H7BrN4O2
Molecular Weight283.08 g/mol
Exact Mass281.98
IUPAC Name5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ncon1)c1ccc(Br)cn1
InChIInChI=1S/C9H7BrN4O2/c10-6-1-2-7(11-3-6)9(15)12-4-8-13-5-16-14-8/h1-3,5H,4H2,(H,12,15)
InChIKeyJCWOOHFIXUNREN-UHFFFAOYSA-N
XLogP1.16
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide
CID 106391380
5-bromo-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106399961
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62998517
5-bromo-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 62998781
3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 106399917
3-amino-6-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 106410197
5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62954782
N-(1,2,4-oxadiazol-3-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 106408427
5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 113245137
6-(methylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide
CID 106408419
2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106399945
2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-5-sulfanylbenzamide
CID 106410082

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide (CID 106399959) is 5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ncon1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is JCWOOHFIXUNREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O2/c10-6-1-2-7(11-3-6)9(15)12-4-8-13-5-16-14-8/h1-3,5H,4H2,(H,12,15).
What are the key properties of 5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide?
5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 283.08 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 106399959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).