5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide

C11H15BrN2O — CID 55210499

IUPAC5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide
SMILESCCC(C)CNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2O/c1-3-8(2)6-14-11(15)10-5-4-9(12)7-13-10/h4-5,7-8H,3,6H2,1-2H3,(H,14,15)
InChIKeyBZAHFYJHAWFTHR-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.62
Rot. Bonds4

About 5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide

5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide (PubChem CID 55210499) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide
PubChem CID55210499
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide
SMILESCCC(C)CNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2O/c1-3-8(2)6-14-11(15)10-5-4-9(12)7-13-10/h4-5,7-8H,3,6H2,1-2H3,(H,14,15)
InChIKeyBZAHFYJHAWFTHR-UHFFFAOYSA-N
XLogP2.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminobutyl)-5-bromopyridine-2-carboxamide
CID 63731150
5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64596698
5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide
CID 115759469
5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 79080153
5-bromo-N-(2-hydroxypentyl)pyridine-2-carboxamide
CID 115700916
5-(aminomethyl)-N-(2-methylbutyl)pyridine-2-carboxamide
CID 63723883
5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 63837989
5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide
CID 124510748
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide
CID 119526197
5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide
CID 114309929
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide
CID 114294391

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide (CID 55210499) is 5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide is CCC(C)CNC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide?
The InChIKey is BZAHFYJHAWFTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-3-8(2)6-14-11(15)10-5-4-9(12)7-13-10/h4-5,7-8H,3,6H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide?
5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide has a molecular weight of 271.16 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 55210499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).