N-(4-bromopentyl)-6-oxo-1H-pyridine-3-carboxamide

C11H15BrN2O2 — CID 106130808

IUPACN-(4-bromopentyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(Br)CCCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H15BrN2O2/c1-8(12)3-2-6-13-11(16)9-4-5-10(15)14-7-9/h4-5,7-8H,2-3,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyIGIUSZWUHKXZNV-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.67
Rot. Bonds5

About N-(4-bromopentyl)-6-oxo-1H-pyridine-3-carboxamide

N-(4-bromopentyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 106130808) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is N-(4-bromopentyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromopentyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID106130808
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC NameN-(4-bromopentyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(Br)CCCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H15BrN2O2/c1-8(12)3-2-6-13-11(16)9-4-5-10(15)14-7-9/h4-5,7-8H,2-3,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyIGIUSZWUHKXZNV-UHFFFAOYSA-N
XLogP1.67
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromopentyl)-2-oxo-1H-pyridine-4-carboxamide
CID 106130813
N-(3-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 115604124
N-(4-amino-4-oxobutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47189186
N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43389064
N-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 103877366
4-bromo-N-(4-bromopentyl)-3-chlorobenzamide
CID 106130615
N-(4-bromopentyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 106130885
6-oxo-N-[5-[(4-sulfamoylbenzoyl)amino]pentyl]-1H-pyridine-3-carboxamide
CID 118335380
6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 2090847
N-[3-(tert-butylamino)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide
CID 115609109
N-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 106355182
N-[2-(2-bromoethyl)pentyl]-6-oxo-1H-pyridine-3-carboxamide
CID 114145848

Frequently Asked Questions

What is the IUPAC name of N-(4-bromopentyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-bromopentyl)-6-oxo-1H-pyridine-3-carboxamide (CID 106130808) is N-(4-bromopentyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromopentyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromopentyl)-6-oxo-1H-pyridine-3-carboxamide is CC(Br)CCCNC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(4-bromopentyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IGIUSZWUHKXZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-8(12)3-2-6-13-11(16)9-4-5-10(15)14-7-9/h4-5,7-8H,2-3,6H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-(4-bromopentyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(4-bromopentyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromopentyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 106130808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).