5-bromo-N-(2-butoxyethyl)-2-chloropyridine-3-carboxamide

C12H16BrClN2O2 — CID 62000850

IUPAC5-bromo-N-(2-butoxyethyl)-2-chloropyridine-3-carboxamide
SMILESCCCCOCCNC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H16BrClN2O2/c1-2-3-5-18-6-4-15-12(17)10-7-9(13)8-16-11(10)14/h7-8H,2-6H2,1H3,(H,15,17)
InChIKeyQLPMVYSWJYPPJH-UHFFFAOYSA-N
MW335.63 g/mol
LogP3.04
Rot. Bonds7

About 5-bromo-N-(2-butoxyethyl)-2-chloropyridine-3-carboxamide

5-bromo-N-(2-butoxyethyl)-2-chloropyridine-3-carboxamide (PubChem CID 62000850) has the molecular formula C12H16BrClN2O2 and a molecular weight of 335.63 g/mol. Its IUPAC name is 5-bromo-N-(2-butoxyethyl)-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-butoxyethyl)-2-chloropyridine-3-carboxamide
PubChem CID62000850
Molecular FormulaC12H16BrClN2O2
Molecular Weight335.63 g/mol
Exact Mass334.01
IUPAC Name5-bromo-N-(2-butoxyethyl)-2-chloropyridine-3-carboxamide
SMILESCCCCOCCNC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H16BrClN2O2/c1-2-3-5-18-6-4-15-12(17)10-7-9(13)8-16-11(10)14/h7-8H,2-6H2,1H3,(H,15,17)
InChIKeyQLPMVYSWJYPPJH-UHFFFAOYSA-N
XLogP3.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(2-butoxyethyl)-2-chloropyridine-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

5-bromo-2-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-carboxamide
CID 62001049
5-bromo-N-(2-butoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 55047105
5-bromo-N-(2-butoxyethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242770
3-bromo-N-(2-butoxyethyl)-5-chlorobenzamide
CID 103826764
N-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide
CID 62000055
2-amino-5-bromo-N-(2-butoxyethyl)pyridine-4-carboxamide
CID 114193926
N-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 114923111
5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62185046
5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-carboxamide
CID 115604487
N-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
CID 62176364
5-bromo-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 99355657
5-bromo-N-[3-[(5-bromo-2-butoxybenzoyl)amino]propyl]-2-butoxybenzamide
CID 17350650

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-butoxyethyl)-2-chloropyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-butoxyethyl)-2-chloropyridine-3-carboxamide (CID 62000850) is 5-bromo-N-(2-butoxyethyl)-2-chloropyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-butoxyethyl)-2-chloropyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-butoxyethyl)-2-chloropyridine-3-carboxamide is CCCCOCCNC(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-N-(2-butoxyethyl)-2-chloropyridine-3-carboxamide?
The InChIKey is QLPMVYSWJYPPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2/c1-2-3-5-18-6-4-15-12(17)10-7-9(13)8-16-11(10)14/h7-8H,2-6H2,1H3,(H,15,17).
What are the key properties of 5-bromo-N-(2-butoxyethyl)-2-chloropyridine-3-carboxamide?
5-bromo-N-(2-butoxyethyl)-2-chloropyridine-3-carboxamide has a molecular weight of 335.63 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-butoxyethyl)-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 62000850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).