2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

C17H13FN2O2S — CID 22612181

IUPAC2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cccnc1Oc1ccc(F)cc1
InChIInChI=1S/C17H13FN2O2S/c18-12-5-7-13(8-6-12)22-17-15(4-1-9-19-17)16(21)20-11-14-3-2-10-23-14/h1-10H,11H2,(H,20,21)
InChIKeyBJSRBYOJJULYSJ-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.00
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 22612181) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID22612181
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC Name2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cccnc1Oc1ccc(F)cc1
InChIInChI=1S/C17H13FN2O2S/c18-12-5-7-13(8-6-12)22-17-15(4-1-9-19-17)16(21)20-11-14-3-2-10-23-14/h1-10H,11H2,(H,20,21)
InChIKeyBJSRBYOJJULYSJ-UHFFFAOYSA-N
XLogP4.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 22612181) is 2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccs1)c1cccnc1Oc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is BJSRBYOJJULYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c18-12-5-7-13(8-6-12)22-17-15(4-1-9-19-17)16(21)20-11-14-3-2-10-23-14/h1-10H,11H2,(H,20,21).
What are the key properties of 2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 22612181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).