N-(2-bromo-3-ethylpentyl)-5-fluoropyridine-2-carboxamide

C13H18BrFN2O — CID 106288255

IUPACN-(2-bromo-3-ethylpentyl)-5-fluoropyridine-2-carboxamide
SMILESCCC(CC)C(Br)CNC(=O)c1ccc(F)cn1
InChIInChI=1S/C13H18BrFN2O/c1-3-9(4-2)11(14)8-17-13(18)12-6-5-10(15)7-16-12/h5-7,9,11H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyNSDMXJUTHLZMIL-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.15
Rot. Bonds6

About N-(2-bromo-3-ethylpentyl)-5-fluoropyridine-2-carboxamide

N-(2-bromo-3-ethylpentyl)-5-fluoropyridine-2-carboxamide (PubChem CID 106288255) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is N-(2-bromo-3-ethylpentyl)-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-ethylpentyl)-5-fluoropyridine-2-carboxamide
PubChem CID106288255
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC NameN-(2-bromo-3-ethylpentyl)-5-fluoropyridine-2-carboxamide
SMILESCCC(CC)C(Br)CNC(=O)c1ccc(F)cn1
InChIInChI=1S/C13H18BrFN2O/c1-3-9(4-2)11(14)8-17-13(18)12-6-5-10(15)7-16-12/h5-7,9,11H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyNSDMXJUTHLZMIL-UHFFFAOYSA-N
XLogP3.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-bromo-3-ethylpentyl)-5-fluoropyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]propanoate
CID 103492499
N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 104643146
N-(2-bromo-3-ethylpentyl)-2-(2,4-difluorophenyl)acetamide
CID 106288520
3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide
CID 106288362
N-(4-bromopentan-2-yl)-5-fluoropyridine-2-carboxamide
CID 104643211
N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 136529873
N-(2-aminobutyl)-5-bromopyridine-2-carboxamide
CID 63731150
4-bromo-N-(2-bromo-3-ethylpentyl)benzamide
CID 114168864
N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 106845244
N-(2-bromo-3-ethylpentyl)-4-(trifluoromethyl)benzamide
CID 106288527
5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide
CID 55210499
N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide
CID 107233891

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-ethylpentyl)-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-(2-bromo-3-ethylpentyl)-5-fluoropyridine-2-carboxamide (CID 106288255) is N-(2-bromo-3-ethylpentyl)-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-3-ethylpentyl)-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(2-bromo-3-ethylpentyl)-5-fluoropyridine-2-carboxamide is CCC(CC)C(Br)CNC(=O)c1ccc(F)cn1.
What is the InChIKey of N-(2-bromo-3-ethylpentyl)-5-fluoropyridine-2-carboxamide?
The InChIKey is NSDMXJUTHLZMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c1-3-9(4-2)11(14)8-17-13(18)12-6-5-10(15)7-16-12/h5-7,9,11H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of N-(2-bromo-3-ethylpentyl)-5-fluoropyridine-2-carboxamide?
N-(2-bromo-3-ethylpentyl)-5-fluoropyridine-2-carboxamide has a molecular weight of 317.20 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-ethylpentyl)-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 106288255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).