5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-2-carboxamide

C13H18Br2N2O — CID 106255667

IUPAC5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-2-carboxamide
SMILESCCC(CC)(CBr)CNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C13H18Br2N2O/c1-3-13(4-2,8-14)9-17-12(18)11-6-5-10(15)7-16-11/h5-7H,3-4,8-9H2,1-2H3,(H,17,18)
InChIKeySIWJPFBAAREZRV-UHFFFAOYSA-N
MW378.11 g/mol
LogP3.78
Rot. Bonds6

About 5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-2-carboxamide

5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-2-carboxamide (PubChem CID 106255667) has the molecular formula C13H18Br2N2O and a molecular weight of 378.11 g/mol. Its IUPAC name is 5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-2-carboxamide
PubChem CID106255667
Molecular FormulaC13H18Br2N2O
Molecular Weight378.11 g/mol
Exact Mass375.98
IUPAC Name5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-2-carboxamide
SMILESCCC(CC)(CBr)CNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C13H18Br2N2O/c1-3-13(4-2,8-14)9-17-12(18)11-6-5-10(15)7-16-11/h5-7H,3-4,8-9H2,1-2H3,(H,17,18)
InChIKeySIWJPFBAAREZRV-UHFFFAOYSA-N
XLogP3.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.11
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-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

3-[(5-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427045
5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide
CID 103840031
5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 55153821
5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide
CID 55210499
5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide
CID 55153816
5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide
CID 106169604
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 64555627
N-(2-aminobutyl)-5-bromopyridine-2-carboxamide
CID 63731150
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 103843189
5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64596698
N-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide
CID 106254725

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-2-carboxamide (CID 106255667) is 5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-2-carboxamide is CCC(CC)(CBr)CNC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-2-carboxamide?
The InChIKey is SIWJPFBAAREZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O/c1-3-13(4-2,8-14)9-17-12(18)11-6-5-10(15)7-16-11/h5-7H,3-4,8-9H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-2-carboxamide?
5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-2-carboxamide has a molecular weight of 378.11 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-2-carboxamide is sourced from PubChem (CID 106255667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).