3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide

C16H17BrN2O — CID 107517899

IUPAC3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide
SMILESCCCCc1ccc(NC(=O)c2ncccc2Br)cc1
InChIInChI=1S/C16H17BrN2O/c1-2-3-5-12-7-9-13(10-8-12)19-16(20)15-14(17)6-4-11-18-15/h4,6-11H,2-3,5H2,1H3,(H,19,20)
InChIKeyIMCLOGOPVMHOOF-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.44
Rot. Bonds5

About 3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide

3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide (PubChem CID 107517899) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide
PubChem CID107517899
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide
SMILESCCCCc1ccc(NC(=O)c2ncccc2Br)cc1
InChIInChI=1S/C16H17BrN2O/c1-2-3-5-12-7-9-13(10-8-12)19-16(20)15-14(17)6-4-11-18-15/h4,6-11H,2-3,5H2,1H3,(H,19,20)
InChIKeyIMCLOGOPVMHOOF-UHFFFAOYSA-N
XLogP4.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 107518027
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516882
3-ethoxy-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 71968920
3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 107517966
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide
CID 63524951
N-(4-butylphenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide
CID 23880408
3-bromo-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide
CID 107518009
N-(4-butylphenyl)-1,3-thiazole-2-carboxamide
CID 110486206
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide (CID 107517899) is 3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide is CCCCc1ccc(NC(=O)c2ncccc2Br)cc1.
What is the InChIKey of 3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide?
The InChIKey is IMCLOGOPVMHOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-2-3-5-12-7-9-13(10-8-12)19-16(20)15-14(17)6-4-11-18-15/h4,6-11H,2-3,5H2,1H3,(H,19,20).
What are the key properties of 3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide?
3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide has a molecular weight of 333.23 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 107517899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).