N-(1-benzothiophen-5-yl)-6-fluoropyridine-3-carboxamide

C14H9FN2OS — CID 63979318

IUPACN-(1-benzothiophen-5-yl)-6-fluoropyridine-3-carboxamide
SMILESO=C(Nc1ccc2sccc2c1)c1ccc(F)nc1
InChIInChI=1S/C14H9FN2OS/c15-13-4-1-10(8-16-13)14(18)17-11-2-3-12-9(7-11)5-6-19-12/h1-8H,(H,17,18)
InChIKeyRGWRUQKWJYSGRR-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.69
Rot. Bonds2

About N-(1-benzothiophen-5-yl)-6-fluoropyridine-3-carboxamide

N-(1-benzothiophen-5-yl)-6-fluoropyridine-3-carboxamide (PubChem CID 63979318) has the molecular formula C14H9FN2OS and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-6-fluoropyridine-3-carboxamide
PubChem CID63979318
Molecular FormulaC14H9FN2OS
Molecular Weight272.30 g/mol
Exact Mass272.04
IUPAC NameN-(1-benzothiophen-5-yl)-6-fluoropyridine-3-carboxamide
SMILESO=C(Nc1ccc2sccc2c1)c1ccc(F)nc1
InChIInChI=1S/C14H9FN2OS/c15-13-4-1-10(8-16-13)14(18)17-11-2-3-12-9(7-11)5-6-19-12/h1-8H,(H,17,18)
InChIKeyRGWRUQKWJYSGRR-UHFFFAOYSA-N
XLogP3.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzothiophen-5-yl)-4-fluoro-3-sulfanylbenzamide
CID 107031254
methyl 4-(1-benzothiophen-5-ylcarbamoyl)benzoate
CID 2423033
6-[2-(1-benzothiophen-5-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 91937301
N-(1-benzothiophen-5-yl)-4-(ethylamino)benzamide
CID 65450538
N-(1-benzothiophen-5-yl)-4-ethoxybenzamide
CID 23796811
N-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide
CID 103872126
3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide
CID 62057837
6-fluoro-N-(3-hydroxyphenyl)pyridine-3-carboxamide
CID 63979934
N-(1-benzothiophen-5-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763594
N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63971441
N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63978798
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-fluoropyridine-3-carboxamide
CID 63972545

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-6-fluoropyridine-3-carboxamide (CID 63979318) is N-(1-benzothiophen-5-yl)-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-6-fluoropyridine-3-carboxamide is O=C(Nc1ccc2sccc2c1)c1ccc(F)nc1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-6-fluoropyridine-3-carboxamide?
The InChIKey is RGWRUQKWJYSGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2OS/c15-13-4-1-10(8-16-13)14(18)17-11-2-3-12-9(7-11)5-6-19-12/h1-8H,(H,17,18).
What are the key properties of N-(1-benzothiophen-5-yl)-6-fluoropyridine-3-carboxamide?
N-(1-benzothiophen-5-yl)-6-fluoropyridine-3-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 63979318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).