N-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide

C11H15BrN2O2 — CID 106244946

IUPACN-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide
SMILESCOCC(Br)CCNC(=O)c1cccnc1
InChIInChI=1S/C11H15BrN2O2/c1-16-8-10(12)4-6-14-11(15)9-3-2-5-13-7-9/h2-3,5,7,10H,4,6,8H2,1H3,(H,14,15)
InChIKeyADCGRHFVCWOHTE-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.61
Rot. Bonds6

About N-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide

N-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide (PubChem CID 106244946) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is N-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide
PubChem CID106244946
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC NameN-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide
SMILESCOCC(Br)CCNC(=O)c1cccnc1
InChIInChI=1S/C11H15BrN2O2/c1-16-8-10(12)4-6-14-11(15)9-3-2-5-13-7-9/h2-3,5,7,10H,4,6,8H2,1H3,(H,14,15)
InChIKeyADCGRHFVCWOHTE-UHFFFAOYSA-N
XLogP1.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide
CID 106244827
N-(3-bromo-4-methoxybutyl)-3-methoxybenzamide
CID 114163322
N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
CID 106244891
N-(3-bromo-4-methoxybutyl)-1H-pyrazole-4-carboxamide
CID 106244861
N-(3-bromo-4-methoxybutyl)-2-methylpyridine-4-carboxamide
CID 106244762
N-(3-bromo-4-methoxybutyl)-3-(dimethylamino)benzamide
CID 106245278
N-(3-bromo-4-methoxybutyl)-2,6-difluorobenzamide
CID 106244803
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-(3-bromo-4-methoxybutyl)-3,4,5-trifluorobenzamide
CID 106244860
N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide
CID 106245034
N-(3-bromo-4-methoxybutyl)-5-chloropyridine-2-carboxamide
CID 106245143
ethane;methoxy-oxo-[2-(pyridine-3-carbonylamino)ethoxy]azanium
CID 155697782

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide (CID 106244946) is N-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide is COCC(Br)CCNC(=O)c1cccnc1.
What is the InChIKey of N-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide?
The InChIKey is ADCGRHFVCWOHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-16-8-10(12)4-6-14-11(15)9-3-2-5-13-7-9/h2-3,5,7,10H,4,6,8H2,1H3,(H,14,15).
What are the key properties of N-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide?
N-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide is sourced from PubChem (CID 106244946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).