N-[[6-(quinolin-8-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C27H28N6O3S — CID 175515296

About N-[[6-(quinolin-8-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[[6-(quinolin-8-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515296) has the molecular formula C27H28N6O3S and a molecular weight of 516.63 g/mol. Its IUPAC name is N-[[6-(quinolin-8-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[6-(quinolin-8-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 175515296
• Molecular Formula: C27H28N6O3S
• Molecular Weight: 516.63 g/mol
• Exact Mass: 516.19
• IUPAC Name: N-[[6-(quinolin-8-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC1CCN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(Nc3cccc4cccnc34)n2)C1(C)C
• InChI: InChI=1S/C27H28N6O3S/c1-18-14-17-33(27(18,2)3)25-20(10-7-16-29-25)26(34)32-37(35,36)23-13-5-12-22(31-23)30-21-11-4-8-19-9-6-15-28-24(19)21/h4-13,15-16,18H,14,17H2,1-3H3,(H,30,31)(H,32,34)
• InChIKey: ANYSPEXRMPBFBV-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 117.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.63
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[6-(quinolin-8-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[[6-(quinolin-8-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515296) is N-[[6-(quinolin-8-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[[6-(quinolin-8-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[[6-(quinolin-8-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(Nc3cccc4cccnc34)n2)C1(C)C.

What is the InChIKey of N-[[6-(quinolin-8-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is ANYSPEXRMPBFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3S/c1-18-14-17-33(27(18,2)3)25-20(10-7-16-29-25)26(34)32-37(35,36)23-13-5-12-22(31-23)30-21-11-4-8-19-9-6-15-28-24(19)21/h4-13,15-16,18H,14,17H2,1-3H3,(H,30,31)(H,32,34).

What are the key properties of N-[[6-(quinolin-8-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

N-[[6-(quinolin-8-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 516.63 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(quinolin-8-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).