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

C25H35N5O4S — CID 153427310

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

4-[[6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 153427310) has the molecular formula C25H35N5O4S and a molecular weight of 501.65 g/mol. Its IUPAC name is 4-[[6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 153427310
• Molecular Formula: C25H35N5O4S
• Molecular Weight: 501.65 g/mol
• Exact Mass: 501.24
• IUPAC Name: 4-[[6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: COCC1CCCN(c2cccc(S(=O)(=O)c3ccnc(N4CC(C)CC4(C)C)c3C(N)=O)n2)C1
• InChI: InChI=1S/C25H35N5O4S/c1-17-13-25(2,3)30(14-17)24-22(23(26)31)19(10-11-27-24)35(32,33)21-9-5-8-20(28-21)29-12-6-7-18(15-29)16-34-4/h5,8-11,17-18H,6-7,12-16H2,1-4H3,(H2,26,31)
• InChIKey: ZJBNIYWPQZJUKN-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 118.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.65
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[[6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 153427310) is 4-[[6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

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

The canonical SMILES for 4-[[6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is COCC1CCCN(c2cccc(S(=O)(=O)c3ccnc(N4CC(C)CC4(C)C)c3C(N)=O)n2)C1.

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

The InChIKey is ZJBNIYWPQZJUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O4S/c1-17-13-25(2,3)30(14-17)24-22(23(26)31)19(10-11-27-24)35(32,33)21-9-5-8-20(28-21)29-12-6-7-18(15-29)16-34-4/h5,8-11,17-18H,6-7,12-16H2,1-4H3,(H2,26,31).

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

4-[[6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 501.65 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 153427310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).