N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C30H41N5O5S — CID 121251057

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121251057) has the molecular formula C30H41N5O5S and a molecular weight of 583.76 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 121251057
• Molecular Formula: C30H41N5O5S
• Molecular Weight: 583.76 g/mol
• Exact Mass: 583.28
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC1CN(c2nc(C(C)(C)C)c(C3=CCC4(CC3)OCCO4)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
• InChI: InChI=1S/C30H41N5O5S/c1-19-17-29(5,6)35(18-19)26-22(27(36)34-41(37,38)24-9-7-8-23(31)32-24)16-21(25(33-26)28(2,3)4)20-10-12-30(13-11-20)39-14-15-40-30/h7-10,16,19H,11-15,17-18H2,1-6H3,(H2,31,32)(H,34,36)
• InChIKey: KRLBNAJJKQMDCE-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 136.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.76
LogP ≤ 5	4.41
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-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121251057) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2nc(C(C)(C)C)c(C3=CCC4(CC3)OCCO4)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is KRLBNAJJKQMDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O5S/c1-19-17-29(5,6)35(18-19)26-22(27(36)34-41(37,38)24-9-7-8-23(31)32-24)16-21(25(33-26)28(2,3)4)20-10-12-30(13-11-20)39-14-15-40-30/h7-10,16,19H,11-15,17-18H2,1-6H3,(H2,31,32)(H,34,36).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 583.76 g/mol, XLogP of 4.41, 5 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-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121251057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).