4-[[6-(furan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C23H27N5O4S — CID 153427465

About 4-[[6-(furan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

4-[[6-(furan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 153427465) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is 4-[[6-(furan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[6-(furan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 153427465
• Molecular Formula: C23H27N5O4S
• Molecular Weight: 469.57 g/mol
• Exact Mass: 469.18
• IUPAC Name: 4-[[6-(furan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC1CN(c2nccc(S(=O)(=O)c3cccc(NCc4ccco4)n3)c2C(N)=O)C(C)(C)C1
• InChI: InChI=1S/C23H27N5O4S/c1-15-12-23(2,3)28(14-15)22-20(21(24)29)17(9-10-25-22)33(30,31)19-8-4-7-18(27-19)26-13-16-6-5-11-32-16/h4-11,15H,12-14H2,1-3H3,(H2,24,29)(H,26,27)
• InChIKey: KNZCEEKZJATKAG-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 131.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.57
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(furan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of 4-[[6-(furan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 153427465) is 4-[[6-(furan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for 4-[[6-(furan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for 4-[[6-(furan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2nccc(S(=O)(=O)c3cccc(NCc4ccco4)n3)c2C(N)=O)C(C)(C)C1.

What is the InChIKey of 4-[[6-(furan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is KNZCEEKZJATKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4S/c1-15-12-23(2,3)28(14-15)22-20(21(24)29)17(9-10-25-22)33(30,31)19-8-4-7-18(27-19)26-13-16-6-5-11-32-16/h4-11,15H,12-14H2,1-3H3,(H2,24,29)(H,26,27).

What are the key properties of 4-[[6-(furan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

4-[[6-(furan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 469.57 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-(furan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 153427465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).