6-bromo-N-(3-hydroxybutyl)-N-methylpyridine-2-carboxamide

C11H15BrN2O2 — CID 103916984

IUPAC6-bromo-N-(3-hydroxybutyl)-N-methylpyridine-2-carboxamide
SMILESCC(O)CCN(C)C(=O)c1cccc(Br)n1
InChIInChI=1S/C11H15BrN2O2/c1-8(15)6-7-14(2)11(16)9-4-3-5-10(12)13-9/h3-5,8,15H,6-7H2,1-2H3
InChIKeyZJPSKLZMIJIXRE-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.69
Rot. Bonds4

About 6-bromo-N-(3-hydroxybutyl)-N-methylpyridine-2-carboxamide

6-bromo-N-(3-hydroxybutyl)-N-methylpyridine-2-carboxamide (PubChem CID 103916984) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 6-bromo-N-(3-hydroxybutyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-hydroxybutyl)-N-methylpyridine-2-carboxamide
PubChem CID103916984
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name6-bromo-N-(3-hydroxybutyl)-N-methylpyridine-2-carboxamide
SMILESCC(O)CCN(C)C(=O)c1cccc(Br)n1
InChIInChI=1S/C11H15BrN2O2/c1-8(15)6-7-14(2)11(16)9-4-3-5-10(12)13-9/h3-5,8,15H,6-7H2,1-2H3
InChIKeyZJPSKLZMIJIXRE-UHFFFAOYSA-N
XLogP1.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromo-N-(3-hydroxybutyl)-N-methylpyridine-2-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

6-bromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 114037773
6-bromo-N-methyl-N-(3-phenoxypropyl)pyridine-2-carboxamide
CID 103875146
1-chloro-N-(3-hydroxybutyl)-N-methylisoquinoline-3-carboxamide
CID 115747963
6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 103916694
N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide
CID 115673293
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 113351414
5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
CID 111695876
3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
CID 111695920
5-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
CID 111695665
6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide
CID 21352691
6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103874191
N-methyl-N-(3-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498349

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-hydroxybutyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(3-hydroxybutyl)-N-methylpyridine-2-carboxamide (CID 103916984) is 6-bromo-N-(3-hydroxybutyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-hydroxybutyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(3-hydroxybutyl)-N-methylpyridine-2-carboxamide is CC(O)CCN(C)C(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(3-hydroxybutyl)-N-methylpyridine-2-carboxamide?
The InChIKey is ZJPSKLZMIJIXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-8(15)6-7-14(2)11(16)9-4-3-5-10(12)13-9/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of 6-bromo-N-(3-hydroxybutyl)-N-methylpyridine-2-carboxamide?
6-bromo-N-(3-hydroxybutyl)-N-methylpyridine-2-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-hydroxybutyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 103916984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).