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

C23H32N6O3S — CID 175791210

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

N-[[6-(piperidin-4-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175791210) has the molecular formula C23H32N6O3S and a molecular weight of 472.62 g/mol. Its IUPAC name is N-[[6-(piperidin-4-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[6-(piperidin-4-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 175791210
• Molecular Formula: C23H32N6O3S
• Molecular Weight: 472.62 g/mol
• Exact Mass: 472.23
• IUPAC Name: N-[[6-(piperidin-4-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(NC3CCNCC3)n2)C(C)(C)C1
• InChI: InChI=1S/C23H32N6O3S/c1-16-14-23(2,3)29(15-16)21-18(6-5-11-25-21)22(30)28-33(31,32)20-8-4-7-19(27-20)26-17-9-12-24-13-10-17/h4-8,11,16-17,24H,9-10,12-15H2,1-3H3,(H,26,27)(H,28,30)
• InChIKey: TWXNBBHAFMOZCK-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 116.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.62
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[[6-(piperidin-4-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175791210) is N-[[6-(piperidin-4-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

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

The canonical SMILES for N-[[6-(piperidin-4-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(NC3CCNCC3)n2)C(C)(C)C1.

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

The InChIKey is TWXNBBHAFMOZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O3S/c1-16-14-23(2,3)29(15-16)21-18(6-5-11-25-21)22(30)28-33(31,32)20-8-4-7-19(27-20)26-17-9-12-24-13-10-17/h4-8,11,16-17,24H,9-10,12-15H2,1-3H3,(H,26,27)(H,28,30).

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

N-[[6-(piperidin-4-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 472.62 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(piperidin-4-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175791210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).