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

C11H15BrN2O3 — CID 106244891

IUPACN-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
SMILESCOCC(Br)CCNC(=O)c1ccncc1O
InChIInChI=1S/C11H15BrN2O3/c1-17-7-8(12)2-5-14-11(16)9-3-4-13-6-10(9)15/h3-4,6,8,15H,2,5,7H2,1H3,(H,14,16)
InChIKeyBXWCSBIZNFSYCI-UHFFFAOYSA-N
MW303.16 g/mol
LogP1.32
Rot. Bonds6

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

N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide (PubChem CID 106244891) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
PubChem CID106244891
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC NameN-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
SMILESCOCC(Br)CCNC(=O)c1ccncc1O
InChIInChI=1S/C11H15BrN2O3/c1-17-7-8(12)2-5-14-11(16)9-3-4-13-6-10(9)15/h3-4,6,8,15H,2,5,7H2,1H3,(H,14,16)
InChIKeyBXWCSBIZNFSYCI-UHFFFAOYSA-N
XLogP1.32
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
CID 106243919
3-hydroxy-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 81443117
N-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide
CID 106244946
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 104538186
N-(2-chloro-3-methoxypropyl)-3-hydroxypyridine-4-carboxamide
CID 114298783
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103862917
N-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 114163401
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487
N-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide
CID 106244827
N-(3-bromo-4-methoxybutyl)-2-hydroxy-3-methylbenzamide
CID 106245322
N-(3-bromo-4-methoxybutyl)quinoxaline-5-carboxamide
CID 106245167
N-(3-bromo-4-methoxybutyl)-2,6-difluorobenzamide
CID 106244803

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide (CID 106244891) is N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide is COCC(Br)CCNC(=O)c1ccncc1O.
What is the InChIKey of N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide?
The InChIKey is BXWCSBIZNFSYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-17-7-8(12)2-5-14-11(16)9-3-4-13-6-10(9)15/h3-4,6,8,15H,2,5,7H2,1H3,(H,14,16).
What are the key properties of N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide?
N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide has a molecular weight of 303.16 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 106244891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).