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

C22H27F2N5O3 — CID 174230876

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

N-(6-cyclopentyloxypyridazin-3-yl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide (PubChem CID 174230876) has the molecular formula C22H27F2N5O3 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-(6-cyclopentyloxypyridazin-3-yl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

• Compound Name: N-(6-cyclopentyloxypyridazin-3-yl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
• PubChem CID: 174230876
• Molecular Formula: C22H27F2N5O3
• Molecular Weight: 447.49 g/mol
• Exact Mass: 447.21
• IUPAC Name: N-(6-cyclopentyloxypyridazin-3-yl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
• SMILES: CC(C(=O)Nc1ccc(OC2CCCC2)nn1)N1CCC(F)(F)C(c2ccc(=O)[nH]c2)C1
• InChI: InChI=1S/C22H27F2N5O3/c1-14(21(31)26-18-7-9-20(28-27-18)32-16-4-2-3-5-16)29-11-10-22(23,24)17(13-29)15-6-8-19(30)25-12-15/h6-9,12,14,16-17H,2-5,10-11,13H2,1H3,(H,25,30)(H,26,27,31)
• InChIKey: RWXWYWRPZATHOU-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 100.21 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	447.49
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(6-cyclopentyloxypyridazin-3-yl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide (CID 174230876) is N-(6-cyclopentyloxypyridazin-3-yl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide.

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

The canonical SMILES for N-(6-cyclopentyloxypyridazin-3-yl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide is CC(C(=O)Nc1ccc(OC2CCCC2)nn1)N1CCC(F)(F)C(c2ccc(=O)[nH]c2)C1.

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

The InChIKey is RWXWYWRPZATHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N5O3/c1-14(21(31)26-18-7-9-20(28-27-18)32-16-4-2-3-5-16)29-11-10-22(23,24)17(13-29)15-6-8-19(30)25-12-15/h6-9,12,14,16-17H,2-5,10-11,13H2,1H3,(H,25,30)(H,26,27,31).

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

N-(6-cyclopentyloxypyridazin-3-yl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide has a molecular weight of 447.49 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-cyclopentyloxypyridazin-3-yl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 174230876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).