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

C20H22F4N4O3 — CID 174230866

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

N-[5-(2,2-difluoroethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide (PubChem CID 174230866) has the molecular formula C20H22F4N4O3 and a molecular weight of 442.41 g/mol. Its IUPAC name is N-[5-(2,2-difluoroethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

• Compound Name: N-[5-(2,2-difluoroethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
• PubChem CID: 174230866
• Molecular Formula: C20H22F4N4O3
• Molecular Weight: 442.41 g/mol
• Exact Mass: 442.16
• IUPAC Name: N-[5-(2,2-difluoroethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
• SMILES: CC(C(=O)Nc1ccc(OCC(F)F)cn1)N1CCC(F)(F)C(c2ccc(=O)[nH]c2)C1
• InChI: InChI=1S/C20H22F4N4O3/c1-12(19(30)27-17-4-3-14(9-25-17)31-11-16(21)22)28-7-6-20(23,24)15(10-28)13-2-5-18(29)26-8-13/h2-5,8-9,12,15-16H,6-7,10-11H2,1H3,(H,26,29)(H,25,27,30)
• InChIKey: FQUICOBJSKRYMX-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.41
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-(2,2-difluoroethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide (CID 174230866) is N-[5-(2,2-difluoroethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide.

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

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

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

The InChIKey is FQUICOBJSKRYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F4N4O3/c1-12(19(30)27-17-4-3-14(9-25-17)31-11-16(21)22)28-7-6-20(23,24)15(10-28)13-2-5-18(29)26-8-13/h2-5,8-9,12,15-16H,6-7,10-11H2,1H3,(H,26,29)(H,25,27,30).

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

N-[5-(2,2-difluoroethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide has a molecular weight of 442.41 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2,2-difluoroethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 174230866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).