2-[(3S)-4,4-difluoro-3-[6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide

C20H20F6N4O2 — CID 174230807

About 2-[(3S)-4,4-difluoro-3-[6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide

2-[(3S)-4,4-difluoro-3-[6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide (PubChem CID 174230807) has the molecular formula C20H20F6N4O2 and a molecular weight of 462.39 g/mol. Its IUPAC name is 2-[(3S)-4,4-difluoro-3-[6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide.

Molecular Properties

• Compound Name: 2-[(3S)-4,4-difluoro-3-[6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
• PubChem CID: 174230807
• Molecular Formula: C20H20F6N4O2
• Molecular Weight: 462.39 g/mol
• Exact Mass: 462.15
• IUPAC Name: 2-[(3S)-4,4-difluoro-3-[6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
• SMILES: CC(C(=O)Nc1ccc(F)cn1)N1CCC(F)(F)[C@@H](c2ccc(=O)n(CC(F)(F)F)c2)C1
• InChI: InChI=1S/C20H20F6N4O2/c1-12(18(32)28-16-4-3-14(21)8-27-16)29-7-6-19(22,23)15(10-29)13-2-5-17(31)30(9-13)11-20(24,25)26/h2-5,8-9,12,15H,6-7,10-11H2,1H3,(H,27,28,32)/t12?,15-/m1/s1
• InChIKey: HKIQLWNSTRPOJC-WPZCJLIBSA-N
• XLogP: 3.40
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.39
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4,4-difluoro-3-[6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide?

The IUPAC name of 2-[(3S)-4,4-difluoro-3-[6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide (CID 174230807) is 2-[(3S)-4,4-difluoro-3-[6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide.

What is the SMILES notation for 2-[(3S)-4,4-difluoro-3-[6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide?

The canonical SMILES for 2-[(3S)-4,4-difluoro-3-[6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide is CC(C(=O)Nc1ccc(F)cn1)N1CCC(F)(F)[C@@H](c2ccc(=O)n(CC(F)(F)F)c2)C1.

What is the InChIKey of 2-[(3S)-4,4-difluoro-3-[6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide?

The InChIKey is HKIQLWNSTRPOJC-WPZCJLIBSA-N. The full InChI is InChI=1S/C20H20F6N4O2/c1-12(18(32)28-16-4-3-14(21)8-27-16)29-7-6-19(22,23)15(10-29)13-2-5-17(31)30(9-13)11-20(24,25)26/h2-5,8-9,12,15H,6-7,10-11H2,1H3,(H,27,28,32)/t12?,15-/m1/s1.

What are the key properties of 2-[(3S)-4,4-difluoro-3-[6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide?

2-[(3S)-4,4-difluoro-3-[6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide has a molecular weight of 462.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-4,4-difluoro-3-[6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide is sourced from PubChem (CID 174230807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).