6-fluoro-N-pent-4-yn-2-ylpyridine-2-carboxamide

C11H11FN2O — CID 115869130

IUPAC6-fluoro-N-pent-4-yn-2-ylpyridine-2-carboxamide
SMILESC#CCC(C)NC(=O)c1cccc(F)n1
InChIInChI=1S/C11H11FN2O/c1-3-5-8(2)13-11(15)9-6-4-7-10(12)14-9/h1,4,6-8H,5H2,2H3,(H,13,15)
InChIKeyOCTCFYBOCJPFBS-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.36
Rot. Bonds3

About 6-fluoro-N-pent-4-yn-2-ylpyridine-2-carboxamide

6-fluoro-N-pent-4-yn-2-ylpyridine-2-carboxamide (PubChem CID 115869130) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 6-fluoro-N-pent-4-yn-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-pent-4-yn-2-ylpyridine-2-carboxamide
PubChem CID115869130
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name6-fluoro-N-pent-4-yn-2-ylpyridine-2-carboxamide
SMILESC#CCC(C)NC(=O)c1cccc(F)n1
InChIInChI=1S/C11H11FN2O/c1-3-5-8(2)13-11(15)9-6-4-7-10(12)14-9/h1,4,6-8H,5H2,2H3,(H,13,15)
InChIKeyOCTCFYBOCJPFBS-UHFFFAOYSA-N
XLogP1.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-2-carboxamide
CID 115869084
methyl 2-[(6-fluoropyridine-2-carbonyl)amino]propanoate
CID 112703953
6-fluoro-N-pent-4-yn-2-ylpyridin-2-amine
CID 103705067
2-[(6-fluoropyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 115496379
(2S)-2-[(6-fluoropyridine-2-carbonyl)amino]butanedioic acid
CID 115496524
6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide
CID 102904926
6-fluoro-N-hex-5-ynylpyridine-2-carboxamide
CID 103873748
6-fluoro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 115497979
6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide
CID 102612083
6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 115868364
5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid
CID 104682180
2,6-dichloro-N-pent-4-yn-2-ylpyridine-4-carboxamide
CID 115661799

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-pent-4-yn-2-ylpyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-pent-4-yn-2-ylpyridine-2-carboxamide (CID 115869130) is 6-fluoro-N-pent-4-yn-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-pent-4-yn-2-ylpyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-pent-4-yn-2-ylpyridine-2-carboxamide is C#CCC(C)NC(=O)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-pent-4-yn-2-ylpyridine-2-carboxamide?
The InChIKey is OCTCFYBOCJPFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-3-5-8(2)13-11(15)9-6-4-7-10(12)14-9/h1,4,6-8H,5H2,2H3,(H,13,15).
What are the key properties of 6-fluoro-N-pent-4-yn-2-ylpyridine-2-carboxamide?
6-fluoro-N-pent-4-yn-2-ylpyridine-2-carboxamide has a molecular weight of 206.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-pent-4-yn-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 115869130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).