6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide

C26H22FN5O2S — CID 67268386

About 6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67268386) has the molecular formula C26H22FN5O2S and a molecular weight of 487.56 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
• PubChem CID: 67268386
• Molecular Formula: C26H22FN5O2S
• Molecular Weight: 487.56 g/mol
• Exact Mass: 487.15
• IUPAC Name: 6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
• SMILES: O=C(NC1CCN(c2ncccc2C(=O)c2nccs2)CC1)c1ccc(-c2cccc(F)c2)nc1
• InChI: InChI=1S/C26H22FN5O2S/c27-19-4-1-3-17(15-19)22-7-6-18(16-30-22)25(34)31-20-8-12-32(13-9-20)24-21(5-2-10-28-24)23(33)26-29-11-14-35-26/h1-7,10-11,14-16,20H,8-9,12-13H2,(H,31,34)
• InChIKey: GPEMKSNHHGZOMW-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.56
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide?

The IUPAC name of 6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide (CID 67268386) is 6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(c2ncccc2C(=O)c2nccs2)CC1)c1ccc(-c2cccc(F)c2)nc1.

What is the InChIKey of 6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide?

The InChIKey is GPEMKSNHHGZOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O2S/c27-19-4-1-3-17(15-19)22-7-6-18(16-30-22)25(34)31-20-8-12-32(13-9-20)24-21(5-2-10-28-24)23(33)26-29-11-14-35-26/h1-7,10-11,14-16,20H,8-9,12-13H2,(H,31,34).

What are the key properties of 6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide?

6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67268386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).