2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide

C12H17BrN2O2 — CID 103862151

IUPAC2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide
SMILESCC(CO)CCCNC(=O)c1cccnc1Br
InChIInChI=1S/C12H17BrN2O2/c1-9(8-16)4-2-7-15-12(17)10-5-3-6-14-11(10)13/h3,5-6,9,16H,2,4,7-8H2,1H3,(H,15,17)
InChIKeyXPWXJIXIJHOYCJ-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.98
Rot. Bonds6

About 2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide

2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide (PubChem CID 103862151) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide
PubChem CID103862151
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide
SMILESCC(CO)CCCNC(=O)c1cccnc1Br
InChIInChI=1S/C12H17BrN2O2/c1-9(8-16)4-2-7-15-12(17)10-5-3-6-14-11(10)13/h3,5-6,9,16H,2,4,7-8H2,1H3,(H,15,17)
InChIKeyXPWXJIXIJHOYCJ-UHFFFAOYSA-N
XLogP1.98
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 103819583
2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 103755462
2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide
CID 103755024
2-bromo-N-pent-4-ynylpyridine-3-carboxamide
CID 103755606
2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 103886003
N-(5-hydroxy-4-methylpentyl)-2-methylsulfanylbenzamide
CID 103861423
methyl 6-[(2-bromopyridine-3-carbonyl)amino]hexanoate
CID 113255495
2-bromo-N-[3-(1H-imidazol-2-yl)propyl]pyridine-3-carboxamide
CID 114036178
2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 103754952
4-bromo-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862163
2-bromo-4-chloro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862023
2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 103753970

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide (CID 103862151) is 2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide is CC(CO)CCCNC(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide?
The InChIKey is XPWXJIXIJHOYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-9(8-16)4-2-7-15-12(17)10-5-3-6-14-11(10)13/h3,5-6,9,16H,2,4,7-8H2,1H3,(H,15,17).
What are the key properties of 2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide?
2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide has a molecular weight of 301.18 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide is sourced from PubChem (CID 103862151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).