2-(4-bromo-3-pyridinyl)-N-(3-cyano-4-pyridinyl)acetamide

C13H9BrN4O — CID 171440258

IUPAC2-(4-bromo-3-pyridinyl)-N-(3-cyano-4-pyridinyl)acetamide
SMILESN#Cc1cnccc1NC(=O)Cc1cnccc1Br
InChIInChI=1S/C13H9BrN4O/c14-11-1-3-16-7-9(11)5-13(19)18-12-2-4-17-8-10(12)6-15/h1-4,7-8H,5H2,(H,17,18,19)
InChIKeyAKBFGKXGCPOWQD-UHFFFAOYSA-N
MW317.15 g/mol
LogP2.29
Rot. Bonds3

About 2-(4-bromo-3-pyridinyl)-N-(3-cyano-4-pyridinyl)acetamide

2-(4-bromo-3-pyridinyl)-N-(3-cyano-4-pyridinyl)acetamide (PubChem CID 171440258) has the molecular formula C13H9BrN4O and a molecular weight of 317.15 g/mol. Its IUPAC name is 2-(4-bromo-3-pyridinyl)-N-(3-cyano-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-pyridinyl)-N-(3-cyano-4-pyridinyl)acetamide
PubChem CID171440258
Molecular FormulaC13H9BrN4O
Molecular Weight317.15 g/mol
Exact Mass316.00
IUPAC Name2-(4-bromo-3-pyridinyl)-N-(3-cyano-4-pyridinyl)acetamide
SMILESN#Cc1cnccc1NC(=O)Cc1cnccc1Br
InChIInChI=1S/C13H9BrN4O/c14-11-1-3-16-7-9(11)5-13(19)18-12-2-4-17-8-10(12)6-15/h1-4,7-8H,5H2,(H,17,18,19)
InChIKeyAKBFGKXGCPOWQD-UHFFFAOYSA-N
XLogP2.29
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-3-pyridinyl)-N-(3-cyano-4-pyridinyl)acetamide 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 2-(4-bromo-3-pyridinyl)-N-(3-cyano-4-pyridinyl)acetamide?
The IUPAC name of 2-(4-bromo-3-pyridinyl)-N-(3-cyano-4-pyridinyl)acetamide (CID 171440258) is 2-(4-bromo-3-pyridinyl)-N-(3-cyano-4-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-pyridinyl)-N-(3-cyano-4-pyridinyl)acetamide?
The canonical SMILES for 2-(4-bromo-3-pyridinyl)-N-(3-cyano-4-pyridinyl)acetamide is N#Cc1cnccc1NC(=O)Cc1cnccc1Br.
What is the InChIKey of 2-(4-bromo-3-pyridinyl)-N-(3-cyano-4-pyridinyl)acetamide?
The InChIKey is AKBFGKXGCPOWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4O/c14-11-1-3-16-7-9(11)5-13(19)18-12-2-4-17-8-10(12)6-15/h1-4,7-8H,5H2,(H,17,18,19).
What are the key properties of 2-(4-bromo-3-pyridinyl)-N-(3-cyano-4-pyridinyl)acetamide?
2-(4-bromo-3-pyridinyl)-N-(3-cyano-4-pyridinyl)acetamide has a molecular weight of 317.15 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-pyridinyl)-N-(3-cyano-4-pyridinyl)acetamide is sourced from PubChem (CID 171440258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).