N-[5-(2,4-difluorophenoxy)-2-pyridinyl]-2-[(1S,3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide

C25H25F2N3O3 — CID 164734588

About N-[5-(2,4-difluorophenoxy)-2-pyridinyl]-2-[(1S,3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide

N-[5-(2,4-difluorophenoxy)-2-pyridinyl]-2-[(1S,3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide (PubChem CID 164734588) has the molecular formula C25H25F2N3O3 and a molecular weight of 453.49 g/mol. Its IUPAC name is N-[5-(2,4-difluorophenoxy)-2-pyridinyl]-2-[(1S,3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide.

Molecular Properties

• Compound Name: N-[5-(2,4-difluorophenoxy)-2-pyridinyl]-2-[(1S,3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide
• PubChem CID: 164734588
• Molecular Formula: C25H25F2N3O3
• Molecular Weight: 453.49 g/mol
• Exact Mass: 453.19
• IUPAC Name: N-[5-(2,4-difluorophenoxy)-2-pyridinyl]-2-[(1S,3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide
• SMILES: CC(C(=O)Nc1ccc(Oc2ccc(F)cc2F)cn1)[C@H]1CCC[C@@H](c2ccc(=O)[nH]c2)C1
• InChI: InChI=1S/C25H25F2N3O3/c1-15(16-3-2-4-17(11-16)18-5-10-24(31)29-13-18)25(32)30-23-9-7-20(14-28-23)33-22-8-6-19(26)12-21(22)27/h5-10,12-17H,2-4,11H2,1H3,(H,29,31)(H,28,30,32)/t15?,16-,17+/m0/s1
• InChIKey: WNQSZKOLVNQFPG-LRUHZDSUSA-N
• XLogP: 5.39
• TPSA: 84.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.49
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-difluorophenoxy)-2-pyridinyl]-2-[(1S,3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide?

The IUPAC name of N-[5-(2,4-difluorophenoxy)-2-pyridinyl]-2-[(1S,3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide (CID 164734588) is N-[5-(2,4-difluorophenoxy)-2-pyridinyl]-2-[(1S,3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide.

What is the SMILES notation for N-[5-(2,4-difluorophenoxy)-2-pyridinyl]-2-[(1S,3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide?

The canonical SMILES for N-[5-(2,4-difluorophenoxy)-2-pyridinyl]-2-[(1S,3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide is CC(C(=O)Nc1ccc(Oc2ccc(F)cc2F)cn1)[C@H]1CCC[C@@H](c2ccc(=O)[nH]c2)C1.

What is the InChIKey of N-[5-(2,4-difluorophenoxy)-2-pyridinyl]-2-[(1S,3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide?

The InChIKey is WNQSZKOLVNQFPG-LRUHZDSUSA-N. The full InChI is InChI=1S/C25H25F2N3O3/c1-15(16-3-2-4-17(11-16)18-5-10-24(31)29-13-18)25(32)30-23-9-7-20(14-28-23)33-22-8-6-19(26)12-21(22)27/h5-10,12-17H,2-4,11H2,1H3,(H,29,31)(H,28,30,32)/t15?,16-,17+/m0/s1.

What are the key properties of N-[5-(2,4-difluorophenoxy)-2-pyridinyl]-2-[(1S,3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide?

N-[5-(2,4-difluorophenoxy)-2-pyridinyl]-2-[(1S,3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide has a molecular weight of 453.49 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2,4-difluorophenoxy)-2-pyridinyl]-2-[(1S,3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide is sourced from PubChem (CID 164734588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).