2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide

C18H15FN2O2S — CID 18734933

IUPAC2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cccnc1Oc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C18H15FN2O2S/c1-12(16-5-3-11-24-16)21-17(22)15-4-2-10-20-18(15)23-14-8-6-13(19)7-9-14/h2-12H,1H3,(H,21,22)/t12-/m1/s1
InChIKeyLRQBXHMVEXEFBO-GFCCVEGCSA-N
MW342.40 g/mol
LogP4.57
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide

2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide (PubChem CID 18734933) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide
PubChem CID18734933
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cccnc1Oc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C18H15FN2O2S/c1-12(16-5-3-11-24-16)21-17(22)15-4-2-10-20-18(15)23-14-8-6-13(19)7-9-14/h2-12H,1H3,(H,21,22)/t12-/m1/s1
InChIKeyLRQBXHMVEXEFBO-GFCCVEGCSA-N
XLogP4.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide (CID 18734933) is 2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide is C[C@@H](NC(=O)c1cccnc1Oc1ccc(F)cc1)c1cccs1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide?
The InChIKey is LRQBXHMVEXEFBO-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-12(16-5-3-11-24-16)21-17(22)15-4-2-10-20-18(15)23-14-8-6-13(19)7-9-14/h2-12H,1H3,(H,21,22)/t12-/m1/s1.
What are the key properties of 2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide?
2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.57, 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-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 18734933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).