2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(1,3-thiazol-2-ylmethyl)-2-pyridinyl]propanamide

C22H23F2N5O2S — CID 174230845

About 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(1,3-thiazol-2-ylmethyl)-2-pyridinyl]propanamide

2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(1,3-thiazol-2-ylmethyl)-2-pyridinyl]propanamide (PubChem CID 174230845) has the molecular formula C22H23F2N5O2S and a molecular weight of 459.52 g/mol. Its IUPAC name is 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(1,3-thiazol-2-ylmethyl)-2-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(1,3-thiazol-2-ylmethyl)-2-pyridinyl]propanamide
• PubChem CID: 174230845
• Molecular Formula: C22H23F2N5O2S
• Molecular Weight: 459.52 g/mol
• Exact Mass: 459.15
• IUPAC Name: 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(1,3-thiazol-2-ylmethyl)-2-pyridinyl]propanamide
• SMILES: CC(C(=O)Nc1ccc(Cc2nccs2)cn1)N1CCC(F)(F)C(c2ccc(=O)[nH]c2)C1
• InChI: InChI=1S/C22H23F2N5O2S/c1-14(21(31)28-18-4-2-15(11-26-18)10-20-25-7-9-32-20)29-8-6-22(23,24)17(13-29)16-3-5-19(30)27-12-16/h2-5,7,9,11-12,14,17H,6,8,10,13H2,1H3,(H,27,30)(H,26,28,31)
• InChIKey: MAGDGGSDOBHLNN-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.52
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(1,3-thiazol-2-ylmethyl)-2-pyridinyl]propanamide?

The IUPAC name of 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(1,3-thiazol-2-ylmethyl)-2-pyridinyl]propanamide (CID 174230845) is 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(1,3-thiazol-2-ylmethyl)-2-pyridinyl]propanamide.

What is the SMILES notation for 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(1,3-thiazol-2-ylmethyl)-2-pyridinyl]propanamide?

The canonical SMILES for 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(1,3-thiazol-2-ylmethyl)-2-pyridinyl]propanamide is CC(C(=O)Nc1ccc(Cc2nccs2)cn1)N1CCC(F)(F)C(c2ccc(=O)[nH]c2)C1.

What is the InChIKey of 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(1,3-thiazol-2-ylmethyl)-2-pyridinyl]propanamide?

The InChIKey is MAGDGGSDOBHLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O2S/c1-14(21(31)28-18-4-2-15(11-26-18)10-20-25-7-9-32-20)29-8-6-22(23,24)17(13-29)16-3-5-19(30)27-12-16/h2-5,7,9,11-12,14,17H,6,8,10,13H2,1H3,(H,27,30)(H,26,28,31).

What are the key properties of 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(1,3-thiazol-2-ylmethyl)-2-pyridinyl]propanamide?

2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(1,3-thiazol-2-ylmethyl)-2-pyridinyl]propanamide has a molecular weight of 459.52 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(1,3-thiazol-2-ylmethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 174230845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).