N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-methylphenyl]methyl]-2-methylpropanamide

C22H26F2N4O3 — CID 155883303

About N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-methylphenyl]methyl]-2-methylpropanamide

N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-methylphenyl]methyl]-2-methylpropanamide (PubChem CID 155883303) has the molecular formula C22H26F2N4O3 and a molecular weight of 432.47 g/mol. Its IUPAC name is N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-methylphenyl]methyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-methylphenyl]methyl]-2-methylpropanamide
• PubChem CID: 155883303
• Molecular Formula: C22H26F2N4O3
• Molecular Weight: 432.47 g/mol
• Exact Mass: 432.20
• IUPAC Name: N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-methylphenyl]methyl]-2-methylpropanamide
• SMILES: Cc1ccc(CNC(=O)C(C)C)cc1C1NC(=O)CC(c2ccc(OC(F)F)nc2)N1
• InChI: InChI=1S/C22H26F2N4O3/c1-12(2)21(30)26-10-14-5-4-13(3)16(8-14)20-27-17(9-18(29)28-20)15-6-7-19(25-11-15)31-22(23)24/h4-8,11-12,17,20,22,27H,9-10H2,1-3H3,(H,26,30)(H,28,29)
• InChIKey: VZDLTXFIUBLKLS-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 92.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.47
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-methylphenyl]methyl]-2-methylpropanamide (CID 155883303) is N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-methylphenyl]methyl]-2-methylpropanamide.

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

The canonical SMILES for N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-methylphenyl]methyl]-2-methylpropanamide is Cc1ccc(CNC(=O)C(C)C)cc1C1NC(=O)CC(c2ccc(OC(F)F)nc2)N1.

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

The InChIKey is VZDLTXFIUBLKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N4O3/c1-12(2)21(30)26-10-14-5-4-13(3)16(8-14)20-27-17(9-18(29)28-20)15-6-7-19(25-11-15)31-22(23)24/h4-8,11-12,17,20,22,27H,9-10H2,1-3H3,(H,26,30)(H,28,29).

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

N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-methylphenyl]methyl]-2-methylpropanamide has a molecular weight of 432.47 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-methylphenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 155883303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).