N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C26H32N6O3S — CID 175514652

About N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175514652) has the molecular formula C26H32N6O3S and a molecular weight of 508.65 g/mol. Its IUPAC name is N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 175514652
• Molecular Formula: C26H32N6O3S
• Molecular Weight: 508.65 g/mol
• Exact Mass: 508.23
• IUPAC Name: N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC1CCN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N(C)CCc3cccnc3)n2)C1(C)C
• InChI: InChI=1S/C26H32N6O3S/c1-19-12-17-32(26(19,2)3)24-21(9-7-15-28-24)25(33)30-36(34,35)23-11-5-10-22(29-23)31(4)16-13-20-8-6-14-27-18-20/h5-11,14-15,18-19H,12-13,16-17H2,1-4H3,(H,30,33)
• InChIKey: CBOGWHZPWJUSIS-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 108.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.65
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175514652) is N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N(C)CCc3cccnc3)n2)C1(C)C.

What is the InChIKey of N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is CBOGWHZPWJUSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3S/c1-19-12-17-32(26(19,2)3)24-21(9-7-15-28-24)25(33)30-36(34,35)23-11-5-10-22(29-23)31(4)16-13-20-8-6-14-27-18-20/h5-11,14-15,18-19H,12-13,16-17H2,1-4H3,(H,30,33).

What are the key properties of N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 508.65 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175514652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).