6-(ethylamino)-5-[[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile

C24H21FN6O2S — CID 154726341

About 6-(ethylamino)-5-[[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile

6-(ethylamino)-5-[[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile (PubChem CID 154726341) has the molecular formula C24H21FN6O2S and a molecular weight of 476.54 g/mol. Its IUPAC name is 6-(ethylamino)-5-[[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(ethylamino)-5-[[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile
• PubChem CID: 154726341
• Molecular Formula: C24H21FN6O2S
• Molecular Weight: 476.54 g/mol
• Exact Mass: 476.14
• IUPAC Name: 6-(ethylamino)-5-[[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile
• SMILES: CCNc1ncc(C#N)cc1NCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1
• InChI: InChI=1S/C24H21FN6O2S/c1-2-28-24-22(10-17(12-26)13-30-24)29-14-18-11-23(20-7-3-4-8-21(20)25)31(16-18)34(32,33)19-6-5-9-27-15-19/h3-11,13,15-16,29H,2,14H2,1H3,(H,28,30)
• InChIKey: HZKQBAZQLNAWSN-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 112.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.54
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-5-[[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile?

The IUPAC name of 6-(ethylamino)-5-[[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile (CID 154726341) is 6-(ethylamino)-5-[[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(ethylamino)-5-[[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile?

The canonical SMILES for 6-(ethylamino)-5-[[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile is CCNc1ncc(C#N)cc1NCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1.

What is the InChIKey of 6-(ethylamino)-5-[[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile?

The InChIKey is HZKQBAZQLNAWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O2S/c1-2-28-24-22(10-17(12-26)13-30-24)29-14-18-11-23(20-7-3-4-8-21(20)25)31(16-18)34(32,33)19-6-5-9-27-15-19/h3-11,13,15-16,29H,2,14H2,1H3,(H,28,30).

What are the key properties of 6-(ethylamino)-5-[[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile?

6-(ethylamino)-5-[[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile has a molecular weight of 476.54 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(ethylamino)-5-[[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 154726341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).