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

C25H30N6O4S — CID 175514592

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

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-methoxy-2-methyl-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175514592) has the molecular formula C25H30N6O4S and a molecular weight of 510.62 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-methoxy-2-methyl-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-methoxy-2-methyl-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 175514592
• Molecular Formula: C25H30N6O4S
• Molecular Weight: 510.62 g/mol
• Exact Mass: 510.20
• IUPAC Name: N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-methoxy-2-methyl-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: COc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3CCC(C)C3(C)C)n2)c(C)n1
• InChI: InChI=1S/C25H30N6O4S/c1-15-12-14-31(25(15,3)4)23-18(24(32)30-36(33,34)20-7-6-13-27-22(20)26)8-10-19(29-23)17-9-11-21(35-5)28-16(17)2/h6-11,13,15H,12,14H2,1-5H3,(H2,26,27)(H,30,32)
• InChIKey: YJMOPKRMOZHDDJ-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 140.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.62
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-methoxy-2-methyl-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175514592) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-methoxy-2-methyl-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

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

The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-methoxy-2-methyl-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is COc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3CCC(C)C3(C)C)n2)c(C)n1.

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

The InChIKey is YJMOPKRMOZHDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4S/c1-15-12-14-31(25(15,3)4)23-18(24(32)30-36(33,34)20-7-6-13-27-22(20)26)8-10-19(29-23)17-9-11-21(35-5)28-16(17)2/h6-11,13,15H,12,14H2,1-5H3,(H2,26,27)(H,30,32).

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

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-methoxy-2-methyl-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 510.62 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-methoxy-2-methyl-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175514592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).