methylhydrazine;1,1,1-trifluoro-N-[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenoxy]propyl]methanesulfonamide

C26H26F3N5O4S — CID 144675112

About methylhydrazine;1,1,1-trifluoro-N-[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenoxy]propyl]methanesulfonamide

methylhydrazine;1,1,1-trifluoro-N-[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenoxy]propyl]methanesulfonamide (PubChem CID 144675112) has the molecular formula C26H26F3N5O4S and a molecular weight of 561.59 g/mol. Its IUPAC name is methylhydrazine;1,1,1-trifluoro-N-[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenoxy]propyl]methanesulfonamide.

Molecular Properties

• Compound Name: methylhydrazine;1,1,1-trifluoro-N-[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenoxy]propyl]methanesulfonamide
• PubChem CID: 144675112
• Molecular Formula: C26H26F3N5O4S
• Molecular Weight: 561.59 g/mol
• Exact Mass: 561.17
• IUPAC Name: methylhydrazine;1,1,1-trifluoro-N-[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenoxy]propyl]methanesulfonamide
• SMILES: CNN.O=Cc1cc(-c2ccc(-c3ccc(OCCCNS(=O)(=O)C(F)(F)F)cc3)cc2)nc2ccncc12
• InChI: InChI=1S/C25H20F3N3O4S.CH6N2/c26-25(27,28)36(33,34)30-11-1-13-35-21-8-6-18(7-9-21)17-2-4-19(5-3-17)24-14-20(16-32)22-15-29-12-10-23(22)31-24;1-3-2/h2-10,12,14-16,30H,1,11,13H2;3H,2H2,1H3
• InChIKey: FFRYTALPYDHMIY-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 136.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.59
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methylhydrazine;1,1,1-trifluoro-N-[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenoxy]propyl]methanesulfonamide?

The IUPAC name of methylhydrazine;1,1,1-trifluoro-N-[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenoxy]propyl]methanesulfonamide (CID 144675112) is methylhydrazine;1,1,1-trifluoro-N-[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenoxy]propyl]methanesulfonamide.

What is the SMILES notation for methylhydrazine;1,1,1-trifluoro-N-[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenoxy]propyl]methanesulfonamide?

The canonical SMILES for methylhydrazine;1,1,1-trifluoro-N-[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenoxy]propyl]methanesulfonamide is CNN.O=Cc1cc(-c2ccc(-c3ccc(OCCCNS(=O)(=O)C(F)(F)F)cc3)cc2)nc2ccncc12.

What is the InChIKey of methylhydrazine;1,1,1-trifluoro-N-[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenoxy]propyl]methanesulfonamide?

The InChIKey is FFRYTALPYDHMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O4S.CH6N2/c26-25(27,28)36(33,34)30-11-1-13-35-21-8-6-18(7-9-21)17-2-4-19(5-3-17)24-14-20(16-32)22-15-29-12-10-23(22)31-24;1-3-2/h2-10,12,14-16,30H,1,11,13H2;3H,2H2,1H3.

What are the key properties of methylhydrazine;1,1,1-trifluoro-N-[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenoxy]propyl]methanesulfonamide?

methylhydrazine;1,1,1-trifluoro-N-[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenoxy]propyl]methanesulfonamide has a molecular weight of 561.59 g/mol, XLogP of 4.06, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methylhydrazine;1,1,1-trifluoro-N-[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenoxy]propyl]methanesulfonamide is sourced from PubChem (CID 144675112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).