6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide

C22H21FN4O3S — CID 92621780

IUPAC6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nccs1)c1ccc(C2CCN(C(=O)COc3ccccc3F)CC2)nc1
InChIInChI=1S/C22H21FN4O3S/c23-17-3-1-2-4-19(17)30-14-20(28)27-10-7-15(8-11-27)18-6-5-16(13-25-18)21(29)26-22-24-9-12-31-22/h1-6,9,12-13,15H,7-8,10-11,14H2,(H,24,26,29)
InChIKeyQNGXPUXRJRVLEW-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.71
Rot. Bonds6

About 6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide

6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 92621780) has the molecular formula C22H21FN4O3S and a molecular weight of 440.50 g/mol. Its IUPAC name is 6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID92621780
Molecular FormulaC22H21FN4O3S
Molecular Weight440.50 g/mol
Exact Mass440.13
IUPAC Name6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nccs1)c1ccc(C2CCN(C(=O)COc3ccccc3F)CC2)nc1
InChIInChI=1S/C22H21FN4O3S/c23-17-3-1-2-4-19(17)30-14-20(28)27-10-7-15(8-11-27)18-6-5-16(13-25-18)21(29)26-22-24-9-12-31-22/h1-6,9,12-13,15H,7-8,10-11,14H2,(H,24,26,29)
InChIKeyQNGXPUXRJRVLEW-UHFFFAOYSA-N
XLogP3.71
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 92621780) is 6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nccs1)c1ccc(C2CCN(C(=O)COc3ccccc3F)CC2)nc1.
What is the InChIKey of 6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is QNGXPUXRJRVLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3S/c23-17-3-1-2-4-19(17)30-14-20(28)27-10-7-15(8-11-27)18-6-5-16(13-25-18)21(29)26-22-24-9-12-31-22/h1-6,9,12-13,15H,7-8,10-11,14H2,(H,24,26,29).
What are the key properties of 6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 92621780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).