3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(oxolan-3-yloxy)-3-pyridinyl]propanamide

C16H23FN6O4 — CID 90212052

About 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(oxolan-3-yloxy)-3-pyridinyl]propanamide

3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(oxolan-3-yloxy)-3-pyridinyl]propanamide (PubChem CID 90212052) has the molecular formula C16H23FN6O4 and a molecular weight of 382.40 g/mol. Its IUPAC name is 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(oxolan-3-yloxy)-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(oxolan-3-yloxy)-3-pyridinyl]propanamide
• PubChem CID: 90212052
• Molecular Formula: C16H23FN6O4
• Molecular Weight: 382.40 g/mol
• Exact Mass: 382.18
• IUPAC Name: 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(oxolan-3-yloxy)-3-pyridinyl]propanamide
• SMILES: NC(N=O)C(C(=O)Nc1cnccc1OC1CCOC1)C1NCC(F)CN1
• InChI: InChI=1S/C16H23FN6O4/c17-9-5-20-15(21-6-9)13(14(18)23-25)16(24)22-11-7-19-3-1-12(11)27-10-2-4-26-8-10/h1,3,7,9-10,13-15,20-21H,2,4-6,8,18H2,(H,22,24)
• InChIKey: JGQPGYSVMIPMSM-UHFFFAOYSA-N
• XLogP: -0.29
• TPSA: 139.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.40
LogP ≤ 5	-0.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(oxolan-3-yloxy)-3-pyridinyl]propanamide (CID 90212052) is 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(oxolan-3-yloxy)-3-pyridinyl]propanamide.

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

The canonical SMILES for 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(oxolan-3-yloxy)-3-pyridinyl]propanamide is NC(N=O)C(C(=O)Nc1cnccc1OC1CCOC1)C1NCC(F)CN1.

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

The InChIKey is JGQPGYSVMIPMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN6O4/c17-9-5-20-15(21-6-9)13(14(18)23-25)16(24)22-11-7-19-3-1-12(11)27-10-2-4-26-8-10/h1,3,7,9-10,13-15,20-21H,2,4-6,8,18H2,(H,22,24).

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

3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(oxolan-3-yloxy)-3-pyridinyl]propanamide has a molecular weight of 382.40 g/mol, XLogP of -0.29, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(oxolan-3-yloxy)-3-pyridinyl]propanamide is sourced from PubChem (CID 90212052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).