N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide

C11H14BrFN2O — CID 114316575

IUPACN-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide
SMILESCC(CCCBr)NC(=O)c1ccncc1F
InChIInChI=1S/C11H14BrFN2O/c1-8(3-2-5-12)15-11(16)9-4-6-14-7-10(9)13/h4,6-8H,2-3,5H2,1H3,(H,15,16)
InChIKeyWWFWTDYBSWSORF-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.51
Rot. Bonds5

About N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide

N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide (PubChem CID 114316575) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide
PubChem CID114316575
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC NameN-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide
SMILESCC(CCCBr)NC(=O)c1ccncc1F
InChIInChI=1S/C11H14BrFN2O/c1-8(3-2-5-12)15-11(16)9-4-6-14-7-10(9)13/h4,6-8H,2-3,5H2,1H3,(H,15,16)
InChIKeyWWFWTDYBSWSORF-UHFFFAOYSA-N
XLogP2.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide
CID 115646514
N-(4-bromo-1-methoxybutan-2-yl)-3-fluoropyridine-4-carboxamide
CID 106155981
N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide
CID 115646512
N-(1-anilinopropan-2-yl)-3-fluoropyridine-4-carboxamide
CID 71849163
N-(5-bromopentan-2-yl)-2,5-difluorobenzamide
CID 114316646
N-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide
CID 81240356
N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide
CID 103274823
N-(5-bromopentan-2-yl)-2-fluoro-4-nitrobenzamide
CID 114316520
N-(1-bromopropan-2-yl)-3-methylpyridine-4-carboxamide
CID 126977624
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
3-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 105069629
3-amino-N-hexan-2-ylpyridine-4-carboxamide
CID 105069738

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide (CID 114316575) is N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide is CC(CCCBr)NC(=O)c1ccncc1F.
What is the InChIKey of N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide?
The InChIKey is WWFWTDYBSWSORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-8(3-2-5-12)15-11(16)9-4-6-14-7-10(9)13/h4,6-8H,2-3,5H2,1H3,(H,15,16).
What are the key properties of N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide?
N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide has a molecular weight of 289.15 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 114316575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).