2-[5-[(5-fluoro-2-pyridinyl)oxy]-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide

C24H25FN4O3 — CID 175704322

About 2-[5-[(5-fluoro-2-pyridinyl)oxy]-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide

2-[5-[(5-fluoro-2-pyridinyl)oxy]-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide (PubChem CID 175704322) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-[5-[(5-fluoro-2-pyridinyl)oxy]-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide.

Molecular Properties

• Compound Name: 2-[5-[(5-fluoro-2-pyridinyl)oxy]-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide
• PubChem CID: 175704322
• Molecular Formula: C24H25FN4O3
• Molecular Weight: 436.49 g/mol
• Exact Mass: 436.19
• IUPAC Name: 2-[5-[(5-fluoro-2-pyridinyl)oxy]-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide
• SMILES: CC(C(N)=O)(c1ccc(Oc2ccc(F)cn2)cn1)C1CCC[C@@H](c2ccc(=O)[nH]c2)C1
• InChI: InChI=1S/C24H25FN4O3/c1-24(23(26)31,17-4-2-3-15(11-17)16-5-9-21(30)28-12-16)20-8-7-19(14-27-20)32-22-10-6-18(25)13-29-22/h5-10,12-15,17H,2-4,11H2,1H3,(H2,26,31)(H,28,30)/t15-,17?,24?/m1/s1
• InChIKey: DSZJIVOVDDTUHY-HAQQTFLXSA-N
• XLogP: 3.81
• TPSA: 110.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.49
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-fluoro-2-pyridinyl)oxy]-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide?

The IUPAC name of 2-[5-[(5-fluoro-2-pyridinyl)oxy]-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide (CID 175704322) is 2-[5-[(5-fluoro-2-pyridinyl)oxy]-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide.

What is the SMILES notation for 2-[5-[(5-fluoro-2-pyridinyl)oxy]-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide?

The canonical SMILES for 2-[5-[(5-fluoro-2-pyridinyl)oxy]-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide is CC(C(N)=O)(c1ccc(Oc2ccc(F)cn2)cn1)C1CCC[C@@H](c2ccc(=O)[nH]c2)C1.

What is the InChIKey of 2-[5-[(5-fluoro-2-pyridinyl)oxy]-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide?

The InChIKey is DSZJIVOVDDTUHY-HAQQTFLXSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-24(23(26)31,17-4-2-3-15(11-17)16-5-9-21(30)28-12-16)20-8-7-19(14-27-20)32-22-10-6-18(25)13-29-22/h5-10,12-15,17H,2-4,11H2,1H3,(H2,26,31)(H,28,30)/t15-,17?,24?/m1/s1.

What are the key properties of 2-[5-[(5-fluoro-2-pyridinyl)oxy]-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide?

2-[5-[(5-fluoro-2-pyridinyl)oxy]-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide has a molecular weight of 436.49 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(5-fluoro-2-pyridinyl)oxy]-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide is sourced from PubChem (CID 175704322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).