6-bromo-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide

C13H19BrN2O2 — CID 103719398

IUPAC6-bromo-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1ccc(Br)nc1
InChIInChI=1S/C13H19BrN2O2/c1-3-9(4-2)11(17)8-16-13(18)10-5-6-12(14)15-7-10/h5-7,9,11,17H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyVRSSMYOKOFYQRC-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.37
Rot. Bonds6

About 6-bromo-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide

6-bromo-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide (PubChem CID 103719398) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 6-bromo-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide
PubChem CID103719398
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name6-bromo-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1ccc(Br)nc1
InChIInChI=1S/C13H19BrN2O2/c1-3-9(4-2)11(17)8-16-13(18)10-5-6-12(14)15-7-10/h5-7,9,11,17H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyVRSSMYOKOFYQRC-UHFFFAOYSA-N
XLogP2.37
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102904942
N-(3-amino-2-hydroxy-3-oxopropyl)-6-bromopyridine-3-carboxamide
CID 106165096
6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 115759392
6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide
CID 115669873
6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide
CID 66462778
6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
CID 66463336
4-bromo-N-(3-ethyl-2-hydroxypentyl)-3-nitrobenzamide
CID 106285005
4-acetamido-N-(3-ethyl-2-hydroxypentyl)benzamide
CID 103658545
6-bromo-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
CID 103461110
3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide
CID 103827221
N-(3-ethyl-2-hydroxypentyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111115737
N-(3-ethyl-2-hydroxypentyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 111115756

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide (CID 103719398) is 6-bromo-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide is CCC(CC)C(O)CNC(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide?
The InChIKey is VRSSMYOKOFYQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-3-9(4-2)11(17)8-16-13(18)10-5-6-12(14)15-7-10/h5-7,9,11,17H,3-4,8H2,1-2H3,(H,16,18).
What are the key properties of 6-bromo-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide?
6-bromo-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide has a molecular weight of 315.21 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide is sourced from PubChem (CID 103719398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).