N-[4-[2-(3-amino-6-bromo-4-cyano-2-pyridinyl)ethynyl]-2-pyridinyl]acetamide

C15H10BrN5O — CID 121411827

IUPACN-[4-[2-(3-amino-6-bromo-4-cyano-2-pyridinyl)ethynyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C#Cc2nc(Br)cc(C#N)c2N)ccn1
InChIInChI=1S/C15H10BrN5O/c1-9(22)20-14-6-10(4-5-19-14)2-3-12-15(18)11(8-17)7-13(16)21-12/h4-7H,18H2,1H3,(H,19,20,22)
InChIKeyYJNPCKSNPGDBOD-UHFFFAOYSA-N
MW356.18 g/mol
LogP2.05
Rot. Bonds1

About N-[4-[2-(3-amino-6-bromo-4-cyano-2-pyridinyl)ethynyl]-2-pyridinyl]acetamide

N-[4-[2-(3-amino-6-bromo-4-cyano-2-pyridinyl)ethynyl]-2-pyridinyl]acetamide (PubChem CID 121411827) has the molecular formula C15H10BrN5O and a molecular weight of 356.18 g/mol. Its IUPAC name is N-[4-[2-(3-amino-6-bromo-4-cyano-2-pyridinyl)ethynyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(3-amino-6-bromo-4-cyano-2-pyridinyl)ethynyl]-2-pyridinyl]acetamide
PubChem CID121411827
Molecular FormulaC15H10BrN5O
Molecular Weight356.18 g/mol
Exact Mass355.01
IUPAC NameN-[4-[2-(3-amino-6-bromo-4-cyano-2-pyridinyl)ethynyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C#Cc2nc(Br)cc(C#N)c2N)ccn1
InChIInChI=1S/C15H10BrN5O/c1-9(22)20-14-6-10(4-5-19-14)2-3-12-15(18)11(8-17)7-13(16)21-12/h4-7H,18H2,1H3,(H,19,20,22)
InChIKeyYJNPCKSNPGDBOD-UHFFFAOYSA-N
XLogP2.05
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.18
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[4-[2-(3-amino-6-bromo-4-cyano-2-pyridinyl)ethynyl]-2-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 N-[4-[2-(3-amino-6-bromo-4-cyano-2-pyridinyl)ethynyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-(3-amino-6-bromo-4-cyano-2-pyridinyl)ethynyl]-2-pyridinyl]acetamide (CID 121411827) is N-[4-[2-(3-amino-6-bromo-4-cyano-2-pyridinyl)ethynyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-(3-amino-6-bromo-4-cyano-2-pyridinyl)ethynyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-(3-amino-6-bromo-4-cyano-2-pyridinyl)ethynyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(C#Cc2nc(Br)cc(C#N)c2N)ccn1.
What is the InChIKey of N-[4-[2-(3-amino-6-bromo-4-cyano-2-pyridinyl)ethynyl]-2-pyridinyl]acetamide?
The InChIKey is YJNPCKSNPGDBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN5O/c1-9(22)20-14-6-10(4-5-19-14)2-3-12-15(18)11(8-17)7-13(16)21-12/h4-7H,18H2,1H3,(H,19,20,22).
What are the key properties of N-[4-[2-(3-amino-6-bromo-4-cyano-2-pyridinyl)ethynyl]-2-pyridinyl]acetamide?
N-[4-[2-(3-amino-6-bromo-4-cyano-2-pyridinyl)ethynyl]-2-pyridinyl]acetamide has a molecular weight of 356.18 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-amino-6-bromo-4-cyano-2-pyridinyl)ethynyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 121411827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).