5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide

C12H17BrN2O — CID 64596698

IUPAC5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
SMILESCC(C)C(C)CNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H17BrN2O/c1-8(2)9(3)6-15-12(16)11-5-4-10(13)7-14-11/h4-5,7-9H,6H2,1-3H3,(H,15,16)
InChIKeyJQMWRYUGHXZQFC-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.87
Rot. Bonds4

About 5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide

5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide (PubChem CID 64596698) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
PubChem CID64596698
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
SMILESCC(C)C(C)CNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H17BrN2O/c1-8(2)9(3)6-15-12(16)11-5-4-10(13)7-14-11/h4-5,7-9H,6H2,1-3H3,(H,15,16)
InChIKeyJQMWRYUGHXZQFC-UHFFFAOYSA-N
XLogP2.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide
CID 55210499
5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide
CID 115759469
5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 79080153
N-(2-aminobutyl)-5-bromopyridine-2-carboxamide
CID 63731150
5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide
CID 124510748
5-bromo-N-(2-hydroxypentyl)pyridine-2-carboxamide
CID 115700916
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-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
CID 112688688
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 63837989

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide (CID 64596698) is 5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide is CC(C)C(C)CNC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide?
The InChIKey is JQMWRYUGHXZQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8(2)9(3)6-15-12(16)11-5-4-10(13)7-14-11/h4-5,7-9H,6H2,1-3H3,(H,15,16).
What are the key properties of 5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide?
5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide has a molecular weight of 285.19 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 64596698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).