2-N-[2-[2-(2-hydroxyethyl)hydrazinyl]acetyl]-5-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-2,5-dicarboxamide

C19H20F3N5O7S — CID 19970552

About 2-N-[2-[2-(2-hydroxyethyl)hydrazinyl]acetyl]-5-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-2,5-dicarboxamide

2-N-[2-[2-(2-hydroxyethyl)hydrazinyl]acetyl]-5-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-2,5-dicarboxamide (PubChem CID 19970552) has the molecular formula C19H20F3N5O7S and a molecular weight of 519.46 g/mol. Its IUPAC name is 2-N-[2-[2-(2-hydroxyethyl)hydrazinyl]acetyl]-5-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-2,5-dicarboxamide.

Molecular Properties

• Compound Name: 2-N-[2-[2-(2-hydroxyethyl)hydrazinyl]acetyl]-5-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-2,5-dicarboxamide
• PubChem CID: 19970552
• Molecular Formula: C19H20F3N5O7S
• Molecular Weight: 519.46 g/mol
• Exact Mass: 519.10
• IUPAC Name: 2-N-[2-[2-(2-hydroxyethyl)hydrazinyl]acetyl]-5-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-2,5-dicarboxamide
• SMILES: O=C(CNNCCO)NC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cn1
• InChI: InChI=1S/C19H20F3N5O7S/c20-19(21,22)11-34-13-2-4-14(5-3-13)35(32,33)27-17(30)12-1-6-15(23-9-12)18(31)26-16(29)10-25-24-7-8-28/h1-6,9,24-25,28H,7-8,10-11H2,(H,27,30)(H,26,29,31)
• InChIKey: ZWTCECABXQUDEZ-UHFFFAOYSA-N
• XLogP: -0.52
• TPSA: 175.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.46
LogP ≤ 5	-0.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[2-(2-hydroxyethyl)hydrazinyl]acetyl]-5-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-2,5-dicarboxamide?

The IUPAC name of 2-N-[2-[2-(2-hydroxyethyl)hydrazinyl]acetyl]-5-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-2,5-dicarboxamide (CID 19970552) is 2-N-[2-[2-(2-hydroxyethyl)hydrazinyl]acetyl]-5-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-2,5-dicarboxamide.

What is the SMILES notation for 2-N-[2-[2-(2-hydroxyethyl)hydrazinyl]acetyl]-5-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-2,5-dicarboxamide?

The canonical SMILES for 2-N-[2-[2-(2-hydroxyethyl)hydrazinyl]acetyl]-5-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-2,5-dicarboxamide is O=C(CNNCCO)NC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cn1.

What is the InChIKey of 2-N-[2-[2-(2-hydroxyethyl)hydrazinyl]acetyl]-5-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-2,5-dicarboxamide?

The InChIKey is ZWTCECABXQUDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O7S/c20-19(21,22)11-34-13-2-4-14(5-3-13)35(32,33)27-17(30)12-1-6-15(23-9-12)18(31)26-16(29)10-25-24-7-8-28/h1-6,9,24-25,28H,7-8,10-11H2,(H,27,30)(H,26,29,31).

What are the key properties of 2-N-[2-[2-(2-hydroxyethyl)hydrazinyl]acetyl]-5-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-2,5-dicarboxamide?

2-N-[2-[2-(2-hydroxyethyl)hydrazinyl]acetyl]-5-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-2,5-dicarboxamide has a molecular weight of 519.46 g/mol, XLogP of -0.52, 11 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[2-[2-(2-hydroxyethyl)hydrazinyl]acetyl]-5-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 19970552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).