5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide

C17H19BrN2O — CID 63524951

IUPAC5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide
SMILESCCCCCc1ccc(NC(=O)c2ccc(Br)cn2)cc1
InChIInChI=1S/C17H19BrN2O/c1-2-3-4-5-13-6-9-15(10-7-13)20-17(21)16-11-8-14(18)12-19-16/h6-12H,2-5H2,1H3,(H,20,21)
InChIKeyAKZCZYAEGXBUDK-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.83
Rot. Bonds6

About 5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide

5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide (PubChem CID 63524951) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide
PubChem CID63524951
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide
SMILESCCCCCc1ccc(NC(=O)c2ccc(Br)cn2)cc1
InChIInChI=1S/C17H19BrN2O/c1-2-3-4-5-13-6-9-15(10-7-13)20-17(21)16-11-8-14(18)12-19-16/h6-12H,2-5H2,1H3,(H,20,21)
InChIKeyAKZCZYAEGXBUDK-UHFFFAOYSA-N
XLogP4.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642627
N-(4-methoxyphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride
CID 172619079
5-[(4-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684737
N-(4-butylphenyl)-5-chloropyrazine-2-carboxamide
CID 103803190
5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide
CID 62953584
5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide
CID 62954926
N-(5-bromo-2-pyridinyl)-4-(4-octylphenyl)benzamide
CID 3343388
1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207
5-bromo-2-[(5-butylpyridine-2-carbonyl)amino]benzoic acid
CID 10068146
5-bromo-N-heptan-2-ylpyridine-2-carboxamide
CID 55153825
3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide
CID 107517899
2-hydroxy-4-[(5-pentylpyridine-2-carbonyl)amino]benzoic acid;hydrochloride
CID 172618946

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide (CID 63524951) is 5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide is CCCCCc1ccc(NC(=O)c2ccc(Br)cn2)cc1.
What is the InChIKey of 5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide?
The InChIKey is AKZCZYAEGXBUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-2-3-4-5-13-6-9-15(10-7-13)20-17(21)16-11-8-14(18)12-19-16/h6-12H,2-5H2,1H3,(H,20,21).
What are the key properties of 5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide?
5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide has a molecular weight of 347.26 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 63524951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).