N-[[6-[3-(dimethylamino)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C26H32N6O3S — CID 121250471

About N-[[6-[3-(dimethylamino)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[[6-[3-(dimethylamino)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121250471) has the molecular formula C26H32N6O3S and a molecular weight of 508.65 g/mol. Its IUPAC name is N-[[6-[3-(dimethylamino)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[6-[3-(dimethylamino)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 121250471
• Molecular Formula: C26H32N6O3S
• Molecular Weight: 508.65 g/mol
• Exact Mass: 508.23
• IUPAC Name: N-[[6-[3-(dimethylamino)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(Nc3cccc(N(C)C)c3)n2)C(C)(C)C1
• InChI: InChI=1S/C26H32N6O3S/c1-18-16-26(2,3)32(17-18)24-21(11-8-14-27-24)25(33)30-36(34,35)23-13-7-12-22(29-23)28-19-9-6-10-20(15-19)31(4)5/h6-15,18H,16-17H2,1-5H3,(H,28,29)(H,30,33)
• InChIKey: RMNQOLRGQRJIFN-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 107.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.65
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[[6-[3-(dimethylamino)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121250471) is N-[[6-[3-(dimethylamino)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

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

The canonical SMILES for N-[[6-[3-(dimethylamino)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(Nc3cccc(N(C)C)c3)n2)C(C)(C)C1.

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

The InChIKey is RMNQOLRGQRJIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3S/c1-18-16-26(2,3)32(17-18)24-21(11-8-14-27-24)25(33)30-36(34,35)23-13-7-12-22(29-23)28-19-9-6-10-20(15-19)31(4)5/h6-15,18H,16-17H2,1-5H3,(H,28,29)(H,30,33).

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

N-[[6-[3-(dimethylamino)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 508.65 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[3-(dimethylamino)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121250471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).