N-[[6-[(1,2,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C28H38N4O4S — CID 175515490

About N-[[6-[(1,2,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[[6-[(1,2,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515490) has the molecular formula C28H38N4O4S and a molecular weight of 526.70 g/mol. Its IUPAC name is N-[[6-[(1,2,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[6-[(1,2,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 175515490
• Molecular Formula: C28H38N4O4S
• Molecular Weight: 526.70 g/mol
• Exact Mass: 526.26
• IUPAC Name: N-[[6-[(1,2,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC1CCN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OC3(C)C(C)C4CCC3(C)C4)n2)C1(C)C
• InChI: InChI=1S/C28H38N4O4S/c1-18-13-16-32(26(18,3)4)24-21(9-8-15-29-24)25(33)31-37(34,35)23-11-7-10-22(30-23)36-28(6)19(2)20-12-14-27(28,5)17-20/h7-11,15,18-20H,12-14,16-17H2,1-6H3,(H,31,33)
• InChIKey: NITHQFJZMLOOMH-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 101.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.70
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(1,2,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[[6-[(1,2,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515490) is N-[[6-[(1,2,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[[6-[(1,2,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[[6-[(1,2,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OC3(C)C(C)C4CCC3(C)C4)n2)C1(C)C.

What is the InChIKey of N-[[6-[(1,2,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is NITHQFJZMLOOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O4S/c1-18-13-16-32(26(18,3)4)24-21(9-8-15-29-24)25(33)31-37(34,35)23-11-7-10-22(30-23)36-28(6)19(2)20-12-14-27(28,5)17-20/h7-11,15,18-20H,12-14,16-17H2,1-6H3,(H,31,33).

What are the key properties of N-[[6-[(1,2,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

N-[[6-[(1,2,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 526.70 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[(1,2,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).