6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide

C10H9BrN2O — CID 114416382

IUPAC6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide
SMILESC#CC(C)NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C10H9BrN2O/c1-3-7(2)13-10(14)8-4-5-9(11)12-6-8/h1,4-7H,2H3,(H,13,14)
InChIKeyORGGVPBPSDKXDJ-UHFFFAOYSA-N
MW253.10 g/mol
LogP1.60
Rot. Bonds2

About 6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide

6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide (PubChem CID 114416382) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide
PubChem CID114416382
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide
SMILESC#CC(C)NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C10H9BrN2O/c1-3-7(2)13-10(14)8-4-5-9(11)12-6-8/h1,4-7H,2H3,(H,13,14)
InChIKeyORGGVPBPSDKXDJ-UHFFFAOYSA-N
XLogP1.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-Diethylnicotinamide
CID 5497
N'-Methylnicotinamide
CID 64950
Nicaraven
CID 71234
N-Ethylnicotinamide
CID 78007
5-Bromonicotinamide
CID 1808
Phenatine
CID 120640
N,N-Dimethylnicotinamide
CID 81444
Nicodicosapent
CID 50991753
N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 771963
N-(1-methyl-3-phenylpropyl)nicotinamide
CID 3246803
SG 1842
CID 571799
N,N-Dipropylnicotinamide
CID 139084

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide (CID 114416382) is 6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide is C#CC(C)NC(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide?
The InChIKey is ORGGVPBPSDKXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-3-7(2)13-10(14)8-4-5-9(11)12-6-8/h1,4-7H,2H3,(H,13,14).
What are the key properties of 6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide?
6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide has a molecular weight of 253.10 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 114416382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).