N-[(6-amino-2-pyridinyl)sulfonyl]-5-chloro-3-(2,2,3-trimethylpyrrolidin-1-yl)pyrazine-2-carboxamide

C17H21ClN6O3S — CID 175514835

About N-[(6-amino-2-pyridinyl)sulfonyl]-5-chloro-3-(2,2,3-trimethylpyrrolidin-1-yl)pyrazine-2-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-5-chloro-3-(2,2,3-trimethylpyrrolidin-1-yl)pyrazine-2-carboxamide (PubChem CID 175514835) has the molecular formula C17H21ClN6O3S and a molecular weight of 424.91 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-5-chloro-3-(2,2,3-trimethylpyrrolidin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-5-chloro-3-(2,2,3-trimethylpyrrolidin-1-yl)pyrazine-2-carboxamide
• PubChem CID: 175514835
• Molecular Formula: C17H21ClN6O3S
• Molecular Weight: 424.91 g/mol
• Exact Mass: 424.11
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-5-chloro-3-(2,2,3-trimethylpyrrolidin-1-yl)pyrazine-2-carboxamide
• SMILES: CC1CCN(c2nc(Cl)cnc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1(C)C
• InChI: InChI=1S/C17H21ClN6O3S/c1-10-7-8-24(17(10,2)3)15-14(20-9-11(18)21-15)16(25)23-28(26,27)13-6-4-5-12(19)22-13/h4-6,9-10H,7-8H2,1-3H3,(H2,19,22)(H,23,25)
• InChIKey: XDLNZJDXRUKTJC-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 131.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.91
LogP ≤ 5	1.85
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]-5-chloro-3-(2,2,3-trimethylpyrrolidin-1-yl)pyrazine-2-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-chloro-3-(2,2,3-trimethylpyrrolidin-1-yl)pyrazine-2-carboxamide (CID 175514835) is N-[(6-amino-2-pyridinyl)sulfonyl]-5-chloro-3-(2,2,3-trimethylpyrrolidin-1-yl)pyrazine-2-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-5-chloro-3-(2,2,3-trimethylpyrrolidin-1-yl)pyrazine-2-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-5-chloro-3-(2,2,3-trimethylpyrrolidin-1-yl)pyrazine-2-carboxamide is CC1CCN(c2nc(Cl)cnc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1(C)C.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-5-chloro-3-(2,2,3-trimethylpyrrolidin-1-yl)pyrazine-2-carboxamide?

The InChIKey is XDLNZJDXRUKTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN6O3S/c1-10-7-8-24(17(10,2)3)15-14(20-9-11(18)21-15)16(25)23-28(26,27)13-6-4-5-12(19)22-13/h4-6,9-10H,7-8H2,1-3H3,(H2,19,22)(H,23,25).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-5-chloro-3-(2,2,3-trimethylpyrrolidin-1-yl)pyrazine-2-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-5-chloro-3-(2,2,3-trimethylpyrrolidin-1-yl)pyrazine-2-carboxamide has a molecular weight of 424.91 g/mol, XLogP of 1.85, 4 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]-5-chloro-3-(2,2,3-trimethylpyrrolidin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 175514835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).