N-(4-bromo-2-methylbutyl)-3-hydroxypyridine-4-carboxamide

C11H15BrN2O2 — CID 114316791

IUPACN-(4-bromo-2-methylbutyl)-3-hydroxypyridine-4-carboxamide
SMILESCC(CCBr)CNC(=O)c1ccncc1O
InChIInChI=1S/C11H15BrN2O2/c1-8(2-4-12)6-14-11(16)9-3-5-13-7-10(9)15/h3,5,7-8,15H,2,4,6H2,1H3,(H,14,16)
InChIKeyPHDGKXPXNZXVDO-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.94
Rot. Bonds5

About N-(4-bromo-2-methylbutyl)-3-hydroxypyridine-4-carboxamide

N-(4-bromo-2-methylbutyl)-3-hydroxypyridine-4-carboxamide (PubChem CID 114316791) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is N-(4-bromo-2-methylbutyl)-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylbutyl)-3-hydroxypyridine-4-carboxamide
PubChem CID114316791
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC NameN-(4-bromo-2-methylbutyl)-3-hydroxypyridine-4-carboxamide
SMILESCC(CCBr)CNC(=O)c1ccncc1O
InChIInChI=1S/C11H15BrN2O2/c1-8(2-4-12)6-14-11(16)9-3-5-13-7-10(9)15/h3,5,7-8,15H,2,4,6H2,1H3,(H,14,16)
InChIKeyPHDGKXPXNZXVDO-UHFFFAOYSA-N
XLogP1.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide
CID 114316832
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487
3-hydroxy-N-(2-hydroxypentyl)pyridine-4-carboxamide
CID 115744615
3-hydroxy-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 81443117
N-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122758
N-(4-bromo-2-methylbutyl)-2-methylpyridine-3-carboxamide
CID 114316893
N-(2-amino-3-ethylpentyl)-3-hydroxypyridine-4-carboxamide
CID 106286387
N-(2-chloro-3-methoxypropyl)-3-hydroxypyridine-4-carboxamide
CID 114298783
N-[2-[cyclopropyl(methyl)amino]propyl]-3-hydroxypyridine-4-carboxamide
CID 103762346
N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
CID 106244891
N-(4-bromo-2-methylbutyl)-2,3-difluorobenzamide
CID 114316854
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylbutyl)-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-methylbutyl)-3-hydroxypyridine-4-carboxamide (CID 114316791) is N-(4-bromo-2-methylbutyl)-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylbutyl)-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylbutyl)-3-hydroxypyridine-4-carboxamide is CC(CCBr)CNC(=O)c1ccncc1O.
What is the InChIKey of N-(4-bromo-2-methylbutyl)-3-hydroxypyridine-4-carboxamide?
The InChIKey is PHDGKXPXNZXVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-8(2-4-12)6-14-11(16)9-3-5-13-7-10(9)15/h3,5,7-8,15H,2,4,6H2,1H3,(H,14,16).
What are the key properties of N-(4-bromo-2-methylbutyl)-3-hydroxypyridine-4-carboxamide?
N-(4-bromo-2-methylbutyl)-3-hydroxypyridine-4-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylbutyl)-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 114316791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).