N-(3-bromo-2-pyridinyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

C12H13BrN4O2 — CID 71980090

IUPACN-(3-bromo-2-pyridinyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1noc(CCCC(=O)Nc2ncccc2Br)n1
InChIInChI=1S/C12H13BrN4O2/c1-8-15-11(19-17-8)6-2-5-10(18)16-12-9(13)4-3-7-14-12/h3-4,7H,2,5-6H2,1H3,(H,14,16,18)
InChIKeyLPQGOWPCFSHICO-UHFFFAOYSA-N
MW325.17 g/mol
LogP2.50
Rot. Bonds5

About N-(3-bromo-2-pyridinyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

N-(3-bromo-2-pyridinyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 71980090) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID71980090
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC NameN-(3-bromo-2-pyridinyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1noc(CCCC(=O)Nc2ncccc2Br)n1
InChIInChI=1S/C12H13BrN4O2/c1-8-15-11(19-17-8)6-2-5-10(18)16-12-9(13)4-3-7-14-12/h3-4,7H,2,5-6H2,1H3,(H,14,16,18)
InChIKeyLPQGOWPCFSHICO-UHFFFAOYSA-N
XLogP2.50
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-bromo-2-pyridinyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide 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-(3-bromo-2-pyridinyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (CID 71980090) is N-(3-bromo-2-pyridinyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is Cc1noc(CCCC(=O)Nc2ncccc2Br)n1.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is LPQGOWPCFSHICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-8-15-11(19-17-8)6-2-5-10(18)16-12-9(13)4-3-7-14-12/h3-4,7H,2,5-6H2,1H3,(H,14,16,18).
What are the key properties of N-(3-bromo-2-pyridinyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
N-(3-bromo-2-pyridinyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 325.17 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 71980090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).