3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitroso-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]propanamide

C21H32FN7O4 — CID 90382397

About 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitroso-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]propanamide

3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitroso-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]propanamide (PubChem CID 90382397) has the molecular formula C21H32FN7O4 and a molecular weight of 465.53 g/mol. Its IUPAC name is 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitroso-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitroso-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]propanamide
• PubChem CID: 90382397
• Molecular Formula: C21H32FN7O4
• Molecular Weight: 465.53 g/mol
• Exact Mass: 465.25
• IUPAC Name: 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitroso-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]propanamide
• SMILES: CN1CC(F)CNC1C(C(=O)Nc1cnccc1OC1CCN(C2COC2)CC1)C(N)N=O
• InChI: InChI=1S/C21H32FN7O4/c1-28-10-13(22)8-25-20(28)18(19(23)27-31)21(30)26-16-9-24-5-2-17(16)33-15-3-6-29(7-4-15)14-11-32-12-14/h2,5,9,13-15,18-20,25H,3-4,6-8,10-12,23H2,1H3,(H,26,30)
• InChIKey: ZKSJSPXXBAZAAZ-UHFFFAOYSA-N
• XLogP: 0.13
• TPSA: 134.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.53
LogP ≤ 5	0.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitroso-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]propanamide?

The IUPAC name of 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitroso-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]propanamide (CID 90382397) is 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitroso-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]propanamide.

What is the SMILES notation for 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitroso-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]propanamide?

The canonical SMILES for 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitroso-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]propanamide is CN1CC(F)CNC1C(C(=O)Nc1cnccc1OC1CCN(C2COC2)CC1)C(N)N=O.

What is the InChIKey of 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitroso-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]propanamide?

The InChIKey is ZKSJSPXXBAZAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN7O4/c1-28-10-13(22)8-25-20(28)18(19(23)27-31)21(30)26-16-9-24-5-2-17(16)33-15-3-6-29(7-4-15)14-11-32-12-14/h2,5,9,13-15,18-20,25H,3-4,6-8,10-12,23H2,1H3,(H,26,30).

What are the key properties of 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitroso-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]propanamide?

3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitroso-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]propanamide has a molecular weight of 465.53 g/mol, XLogP of 0.13, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitroso-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-pyridinyl]propanamide is sourced from PubChem (CID 90382397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).