N-[2-(2-bromoethyl)pentyl]-6-oxo-1H-pyridine-3-carboxamide

C13H19BrN2O2 — CID 114145848

IUPACN-[2-(2-bromoethyl)pentyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCCC(CCBr)CNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H19BrN2O2/c1-2-3-10(6-7-14)8-16-13(18)11-4-5-12(17)15-9-11/h4-5,9-10H,2-3,6-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyHGRCACMDNPFBKK-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.31
Rot. Bonds7

About N-[2-(2-bromoethyl)pentyl]-6-oxo-1H-pyridine-3-carboxamide

N-[2-(2-bromoethyl)pentyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 114145848) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID114145848
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-[2-(2-bromoethyl)pentyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCCC(CCBr)CNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H19BrN2O2/c1-2-3-10(6-7-14)8-16-13(18)11-4-5-12(17)15-9-11/h4-5,9-10H,2-3,6-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyHGRCACMDNPFBKK-UHFFFAOYSA-N
XLogP2.31
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide
CID 106118118
3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide
CID 114145772
N-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 106355182
N-[2-(2-bromoethyl)pentyl]-2H-triazole-4-carboxamide
CID 106118031
N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 114317772
N-(2,3-dihydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 66176023
N-[2-(2-bromoethyl)pentyl]-4-methyl-3-nitrobenzamide
CID 106117843
N-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide
CID 114317617
N-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide
CID 106117950
N-(4-bromopentyl)-6-oxo-1H-pyridine-3-carboxamide
CID 106130808
N-(3-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 115604124
N-(4-bromo-2-ethylbutyl)-4-methylsulfanylbenzamide
CID 114317601

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethyl)pentyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]-6-oxo-1H-pyridine-3-carboxamide (CID 114145848) is N-[2-(2-bromoethyl)pentyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]-6-oxo-1H-pyridine-3-carboxamide is CCCC(CCBr)CNC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HGRCACMDNPFBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-2-3-10(6-7-14)8-16-13(18)11-4-5-12(17)15-9-11/h4-5,9-10H,2-3,6-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-(2-bromoethyl)pentyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[2-(2-bromoethyl)pentyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 315.21 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethyl)pentyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 114145848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).