2-ethoxy-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide

C17H19FN2O2S — CID 27802145

IUPAC2-ethoxy-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCCCSc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2S/c1-2-22-17-15(5-3-10-20-17)16(21)19-11-4-12-23-14-8-6-13(18)7-9-14/h3,5-10H,2,4,11-12H2,1H3,(H,19,21)
InChIKeyWPFSXPUMBCIDDC-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.53
Rot. Bonds8

About 2-ethoxy-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide

2-ethoxy-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide (PubChem CID 27802145) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-ethoxy-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide
PubChem CID27802145
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name2-ethoxy-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCCCSc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2S/c1-2-22-17-15(5-3-10-20-17)16(21)19-11-4-12-23-14-8-6-13(18)7-9-14/h3,5-10H,2,4,11-12H2,1H3,(H,19,21)
InChIKeyWPFSXPUMBCIDDC-UHFFFAOYSA-N
XLogP3.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide (CID 27802145) is 2-ethoxy-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)NCCCSc1ccc(F)cc1.
What is the InChIKey of 2-ethoxy-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide?
The InChIKey is WPFSXPUMBCIDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-2-22-17-15(5-3-10-20-17)16(21)19-11-4-12-23-14-8-6-13(18)7-9-14/h3,5-10H,2,4,11-12H2,1H3,(H,19,21).
What are the key properties of 2-ethoxy-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide?
2-ethoxy-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide is sourced from PubChem (CID 27802145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).