N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C26H33N5O4S — CID 175515266

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515266) has the molecular formula C26H33N5O4S and a molecular weight of 511.65 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 175515266
• Molecular Formula: C26H33N5O4S
• Molecular Weight: 511.65 g/mol
• Exact Mass: 511.23
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC1CCN(c2nc(C3=CC(C)(C)CCC3=O)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1(C)C
• InChI: InChI=1S/C26H33N5O4S/c1-16-12-14-31(26(16,4)5)23-17(24(33)30-36(34,35)22-8-6-7-21(27)29-22)9-10-19(28-23)18-15-25(2,3)13-11-20(18)32/h6-10,15-16H,11-14H2,1-5H3,(H2,27,29)(H,30,33)
• InChIKey: WAVOATOMIQOHEU-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 135.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.65
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515266) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

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

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2nc(C3=CC(C)(C)CCC3=O)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1(C)C.

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

The InChIKey is WAVOATOMIQOHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4S/c1-16-12-14-31(26(16,4)5)23-17(24(33)30-36(34,35)22-8-6-7-21(27)29-22)9-10-19(28-23)18-15-25(2,3)13-11-20(18)32/h6-10,15-16H,11-14H2,1-5H3,(H2,27,29)(H,30,33).

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 511.65 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).