6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide

C14H21BrN2O — CID 102904942

IUPAC6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
SMILESCC(C)C(CNC(=O)c1ccc(Br)nc1)C(C)C
InChIInChI=1S/C14H21BrN2O/c1-9(2)12(10(3)4)8-17-14(18)11-5-6-13(15)16-7-11/h5-7,9-10,12H,8H2,1-4H3,(H,17,18)
InChIKeyFCFPQRAOTCSSSF-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.50
Rot. Bonds5

About 6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide

6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide (PubChem CID 102904942) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
PubChem CID102904942
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
SMILESCC(C)C(CNC(=O)c1ccc(Br)nc1)C(C)C
InChIInChI=1S/C14H21BrN2O/c1-9(2)12(10(3)4)8-17-14(18)11-5-6-13(15)16-7-11/h5-7,9-10,12H,8H2,1-4H3,(H,17,18)
InChIKeyFCFPQRAOTCSSSF-UHFFFAOYSA-N
XLogP3.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
CID 66463336
6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 115759392
6-methoxy-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102914743
6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide
CID 115669873
6-bromo-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide
CID 103719398
N-(3-amino-2-hydroxy-3-oxopropyl)-6-bromopyridine-3-carboxamide
CID 106165096
6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide
CID 66462778
6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 66464337
4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914606
6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 66462156
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 103719046
N-[(2R)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 83031410

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide (CID 102904942) is 6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide is CC(C)C(CNC(=O)c1ccc(Br)nc1)C(C)C.
What is the InChIKey of 6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide?
The InChIKey is FCFPQRAOTCSSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-9(2)12(10(3)4)8-17-14(18)11-5-6-13(15)16-7-11/h5-7,9-10,12H,8H2,1-4H3,(H,17,18).
What are the key properties of 6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide?
6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide has a molecular weight of 313.24 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 102904942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).