2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide

C12H17BrN2O2 — CID 103755024

IUPAC2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide
SMILESCOCCCCCNC(=O)c1cccnc1Br
InChIInChI=1S/C12H17BrN2O2/c1-17-9-4-2-3-7-15-12(16)10-6-5-8-14-11(10)13/h5-6,8H,2-4,7,9H2,1H3,(H,15,16)
InChIKeyUOLFJHCNDWAGSK-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.39
Rot. Bonds7

About 2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide

2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide (PubChem CID 103755024) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide
PubChem CID103755024
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide
SMILESCOCCCCCNC(=O)c1cccnc1Br
InChIInChI=1S/C12H17BrN2O2/c1-17-9-4-2-3-7-15-12(16)10-6-5-8-14-11(10)13/h5-6,8H,2-4,7,9H2,1H3,(H,15,16)
InChIKeyUOLFJHCNDWAGSK-UHFFFAOYSA-N
XLogP2.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.39
H-Bond Donors ≤ 51
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

methyl 6-[(2-bromopyridine-3-carbonyl)amino]hexanoate
CID 113255495
2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide
CID 107358712
2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 103819583
2-bromo-N-pent-4-ynylpyridine-3-carboxamide
CID 103755606
methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate
CID 103752231
2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 103862151
2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 103754952
2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 103755462
3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 104742127
N-(3-methoxypropyl)quinoline-5-carboxamide
CID 51075711
2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 113255190
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-methoxypentyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide (CID 103755024) is 2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide is COCCCCCNC(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide?
The InChIKey is UOLFJHCNDWAGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-17-9-4-2-3-7-15-12(16)10-6-5-8-14-11(10)13/h5-6,8H,2-4,7,9H2,1H3,(H,15,16).
What are the key properties of 2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide?
2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide has a molecular weight of 301.18 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide is sourced from PubChem (CID 103755024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).