2-(dipropylamino)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid

C23H30F3N3O6S — CID 146054482

About 2-(dipropylamino)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid

2-(dipropylamino)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 146054482) has the molecular formula C23H30F3N3O6S and a molecular weight of 533.57 g/mol. Its IUPAC name is 2-(dipropylamino)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-(dipropylamino)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
• PubChem CID: 146054482
• Molecular Formula: C23H30F3N3O6S
• Molecular Weight: 533.57 g/mol
• Exact Mass: 533.18
• IUPAC Name: 2-(dipropylamino)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
• SMILES: CCCN(CCC)c1ncc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1C(=O)O.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H29N3O4S.C2HF3O2/c1-5-11-24(12-6-2)20-19(21(25)26)13-17(14-22-20)23-29(27,28)18-9-7-16(8-10-18)15(3)4;3-2(4,5)1(6)7/h7-10,13-15,23H,5-6,11-12H2,1-4H3,(H,25,26);(H,6,7)
• InChIKey: POTOGLZXJIKVRV-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 136.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.57
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-(dipropylamino)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid (CID 146054482) is 2-(dipropylamino)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-(dipropylamino)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-(dipropylamino)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid is CCCN(CCC)c1ncc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1C(=O)O.O=C(O)C(F)(F)F.

What is the InChIKey of 2-(dipropylamino)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?

The InChIKey is POTOGLZXJIKVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S.C2HF3O2/c1-5-11-24(12-6-2)20-19(21(25)26)13-17(14-22-20)23-29(27,28)18-9-7-16(8-10-18)15(3)4;3-2(4,5)1(6)7/h7-10,13-15,23H,5-6,11-12H2,1-4H3,(H,25,26);(H,6,7).

What are the key properties of 2-(dipropylamino)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?

2-(dipropylamino)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 533.57 g/mol, XLogP of 4.96, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dipropylamino)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146054482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).