N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C29H39N7O3S — CID 121251649

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121251649) has the molecular formula C29H39N7O3S and a molecular weight of 565.74 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 121251649
• Molecular Formula: C29H39N7O3S
• Molecular Weight: 565.74 g/mol
• Exact Mass: 565.28
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: Cc1nc(N(C)CC(C)C)ccc1-c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2CC(C)CC2(C)C)n1
• InChI: InChI=1S/C29H39N7O3S/c1-18(2)16-35(7)25-14-12-21(20(4)31-25)23-13-11-22(27(32-23)36-17-19(3)15-29(36,5)6)28(37)34-40(38,39)26-10-8-9-24(30)33-26/h8-14,18-19H,15-17H2,1-7H3,(H2,30,33)(H,34,37)
• InChIKey: CBSSKCXEXLTVEV-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 134.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.74
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121251649) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

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

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is Cc1nc(N(C)CC(C)C)ccc1-c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2CC(C)CC2(C)C)n1.

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

The InChIKey is CBSSKCXEXLTVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N7O3S/c1-18(2)16-35(7)25-14-12-21(20(4)31-25)23-13-11-22(27(32-23)36-17-19(3)15-29(36,5)6)28(37)34-40(38,39)26-10-8-9-24(30)33-26/h8-14,18-19H,15-17H2,1-7H3,(H2,30,33)(H,34,37).

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 565.74 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121251649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).