2-[4,4-difluoro-3-[5-(morpholin-4-ylmethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]propanamide

C28H30F4N6O4 — CID 174230924

About 2-[4,4-difluoro-3-[5-(morpholin-4-ylmethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]propanamide

2-[4,4-difluoro-3-[5-(morpholin-4-ylmethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]propanamide (PubChem CID 174230924) has the molecular formula C28H30F4N6O4 and a molecular weight of 590.58 g/mol. Its IUPAC name is 2-[4,4-difluoro-3-[5-(morpholin-4-ylmethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]propanamide.

Molecular Properties

• Compound Name: 2-[4,4-difluoro-3-[5-(morpholin-4-ylmethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]propanamide
• PubChem CID: 174230924
• Molecular Formula: C28H30F4N6O4
• Molecular Weight: 590.58 g/mol
• Exact Mass: 590.23
• IUPAC Name: 2-[4,4-difluoro-3-[5-(morpholin-4-ylmethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]propanamide
• SMILES: CC(C(=O)Nc1cnc(Oc2ccc(F)cc2F)cn1)N1CCC(F)(F)C(c2c[nH]c(=O)c(CN3CCOCC3)c2)C1
• InChI: InChI=1S/C28H30F4N6O4/c1-17(26(39)36-24-13-34-25(14-33-24)42-23-3-2-20(29)11-22(23)30)38-5-4-28(31,32)21(16-38)18-10-19(27(40)35-12-18)15-37-6-8-41-9-7-37/h2-3,10-14,17,21H,4-9,15-16H2,1H3,(H,35,40)(H,33,36,39)
• InChIKey: PYSKPZWINOFNLN-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 112.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.58
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[4,4-difluoro-3-[5-(morpholin-4-ylmethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]propanamide (CID 174230924) is 2-[4,4-difluoro-3-[5-(morpholin-4-ylmethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]propanamide.

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

The canonical SMILES for 2-[4,4-difluoro-3-[5-(morpholin-4-ylmethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]propanamide is CC(C(=O)Nc1cnc(Oc2ccc(F)cc2F)cn1)N1CCC(F)(F)C(c2c[nH]c(=O)c(CN3CCOCC3)c2)C1.

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

The InChIKey is PYSKPZWINOFNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F4N6O4/c1-17(26(39)36-24-13-34-25(14-33-24)42-23-3-2-20(29)11-22(23)30)38-5-4-28(31,32)21(16-38)18-10-19(27(40)35-12-18)15-37-6-8-41-9-7-37/h2-3,10-14,17,21H,4-9,15-16H2,1H3,(H,35,40)(H,33,36,39).

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

2-[4,4-difluoro-3-[5-(morpholin-4-ylmethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]propanamide has a molecular weight of 590.58 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4,4-difluoro-3-[5-(morpholin-4-ylmethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]propanamide is sourced from PubChem (CID 174230924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).