N-(4-bromopentyl)-2-oxo-1H-pyridine-4-carboxamide

C11H15BrN2O2 — CID 106130813

IUPACN-(4-bromopentyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCC(Br)CCCNC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C11H15BrN2O2/c1-8(12)3-2-5-14-11(16)9-4-6-13-10(15)7-9/h4,6-8H,2-3,5H2,1H3,(H,13,15)(H,14,16)
InChIKeyDPIGNSUETGVILV-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.67
Rot. Bonds5

About N-(4-bromopentyl)-2-oxo-1H-pyridine-4-carboxamide

N-(4-bromopentyl)-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 106130813) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is N-(4-bromopentyl)-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromopentyl)-2-oxo-1H-pyridine-4-carboxamide
PubChem CID106130813
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC NameN-(4-bromopentyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCC(Br)CCCNC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C11H15BrN2O2/c1-8(12)3-2-5-14-11(16)9-4-6-13-10(15)7-9/h4,6-8H,2-3,5H2,1H3,(H,13,15)(H,14,16)
InChIKeyDPIGNSUETGVILV-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)-6-oxo-1H-pyridine-3-carboxamide
CID 106130808
N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765617
2-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-4-carboxamide
CID 103766068
4-bromo-N-(4-bromopentyl)-3-chlorobenzamide
CID 106130615
N-(4-bromopentyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 106130885
N-(4-bromopentyl)-1,3-benzodioxole-5-carboxamide
CID 114147566
N-(3-amino-3-oxopropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765710
N-(3-methylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103762776
N-[(4E)-4-amino-4-hydroxyiminobutyl]-2-oxo-1H-pyridine-4-carboxamide
CID 114039851
3-methyl-2-[[(2-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid
CID 114039657
N-(4-bromopentyl)-3,4,5-trimethoxybenzamide
CID 106131338
N-[3-[cyclohexyl(methyl)amino]propyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763751

Frequently Asked Questions

What is the IUPAC name of N-(4-bromopentyl)-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(4-bromopentyl)-2-oxo-1H-pyridine-4-carboxamide (CID 106130813) is N-(4-bromopentyl)-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(4-bromopentyl)-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(4-bromopentyl)-2-oxo-1H-pyridine-4-carboxamide is CC(Br)CCCNC(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of N-(4-bromopentyl)-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is DPIGNSUETGVILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-8(12)3-2-5-14-11(16)9-4-6-13-10(15)7-9/h4,6-8H,2-3,5H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(4-bromopentyl)-2-oxo-1H-pyridine-4-carboxamide?
N-(4-bromopentyl)-2-oxo-1H-pyridine-4-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)-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 106130813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).