N-[[2,4-difluoro-3-[4-oxo-6-[6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide

C25H32F2N4O4 — CID 155883482

About N-[[2,4-difluoro-3-[4-oxo-6-[6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide

N-[[2,4-difluoro-3-[4-oxo-6-[6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide (PubChem CID 155883482) has the molecular formula C25H32F2N4O4 and a molecular weight of 490.55 g/mol. Its IUPAC name is N-[[2,4-difluoro-3-[4-oxo-6-[6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[[2,4-difluoro-3-[4-oxo-6-[6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide
• PubChem CID: 155883482
• Molecular Formula: C25H32F2N4O4
• Molecular Weight: 490.55 g/mol
• Exact Mass: 490.24
• IUPAC Name: N-[[2,4-difluoro-3-[4-oxo-6-[6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide
• SMILES: CC(C)OCCOc1ccc(C2CC(=O)NC(c3c(F)ccc(CNC(=O)C(C)C)c3F)N2)cn1
• InChI: InChI=1S/C25H32F2N4O4/c1-14(2)25(33)29-13-17-5-7-18(26)22(23(17)27)24-30-19(11-20(32)31-24)16-6-8-21(28-12-16)35-10-9-34-15(3)4/h5-8,12,14-15,19,24,30H,9-11,13H2,1-4H3,(H,29,33)(H,31,32)
• InChIKey: GPUWBKAVYVVYKZ-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 101.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.55
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[2,4-difluoro-3-[4-oxo-6-[6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide?

The IUPAC name of N-[[2,4-difluoro-3-[4-oxo-6-[6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide (CID 155883482) is N-[[2,4-difluoro-3-[4-oxo-6-[6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide.

What is the SMILES notation for N-[[2,4-difluoro-3-[4-oxo-6-[6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide?

The canonical SMILES for N-[[2,4-difluoro-3-[4-oxo-6-[6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide is CC(C)OCCOc1ccc(C2CC(=O)NC(c3c(F)ccc(CNC(=O)C(C)C)c3F)N2)cn1.

What is the InChIKey of N-[[2,4-difluoro-3-[4-oxo-6-[6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide?

The InChIKey is GPUWBKAVYVVYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N4O4/c1-14(2)25(33)29-13-17-5-7-18(26)22(23(17)27)24-30-19(11-20(32)31-24)16-6-8-21(28-12-16)35-10-9-34-15(3)4/h5-8,12,14-15,19,24,30H,9-11,13H2,1-4H3,(H,29,33)(H,31,32).

What are the key properties of N-[[2,4-difluoro-3-[4-oxo-6-[6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide?

N-[[2,4-difluoro-3-[4-oxo-6-[6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide has a molecular weight of 490.55 g/mol, XLogP of 3.29, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2,4-difluoro-3-[4-oxo-6-[6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 155883482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).