N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-1H-pyridine-3-carboxamide

C15H15FN2O2S — CID 27802415

IUPACN-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCCSc1ccc(F)cc1)c1ccc[nH]c1=O
InChIInChI=1S/C15H15FN2O2S/c16-11-4-6-12(7-5-11)21-10-2-9-18-15(20)13-3-1-8-17-14(13)19/h1,3-8H,2,9-10H2,(H,17,19)(H,18,20)
InChIKeyIHWJXJKIPHDODJ-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.43
Rot. Bonds6

About N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-1H-pyridine-3-carboxamide

N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 27802415) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID27802415
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC NameN-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCCSc1ccc(F)cc1)c1ccc[nH]c1=O
InChIInChI=1S/C15H15FN2O2S/c16-11-4-6-12(7-5-11)21-10-2-9-18-15(20)13-3-1-8-17-14(13)19/h1,3-8H,2,9-10H2,(H,17,19)(H,18,20)
InChIKeyIHWJXJKIPHDODJ-UHFFFAOYSA-N
XLogP2.43
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-1H-pyridine-3-carboxamide (CID 27802415) is N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-1H-pyridine-3-carboxamide is O=C(NCCCSc1ccc(F)cc1)c1ccc[nH]c1=O.
What is the InChIKey of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IHWJXJKIPHDODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-11-4-6-12(7-5-11)21-10-2-9-18-15(20)13-3-1-8-17-14(13)19/h1,3-8H,2,9-10H2,(H,17,19)(H,18,20).
What are the key properties of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 27802415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).