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N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C29H38N6O5S — CID 175514785

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC(C)C3(C)C)n2)cnc1OCCOC(C)C
InChIInChI=1S/C29H38N6O5S/c1-18(2)39-14-15-40-28-19(3)16-21(17-31-28)23-11-10-22(26(32-23)35-13-12-20(4)29(35,5)6)27(36)34-41(37,38)25-9-7-8-24(30)33-25/h7-11,16-18,20H,12-15H2,1-6H3,(H2,30,33)(H,34,36)
InChIKeyGJLROKXGDKKJOH-UHFFFAOYSA-N
MW582.73 g/mol
LogP3.98
Rot. Bonds10

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175514785) has the molecular formula C29H38N6O5S and a molecular weight of 582.73 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175514785
Molecular FormulaC29H38N6O5S
Molecular Weight582.73 g/mol
Exact Mass582.26
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC(C)C3(C)C)n2)cnc1OCCOC(C)C
InChIInChI=1S/C29H38N6O5S/c1-18(2)39-14-15-40-28-19(3)16-21(17-31-28)23-11-10-22(26(32-23)35-13-12-20(4)29(35,5)6)27(36)34-41(37,38)25-9-7-8-24(30)33-25/h7-11,16-18,20H,12-15H2,1-6H3,(H2,30,33)(H,34,36)
InChIKeyGJLROKXGDKKJOH-UHFFFAOYSA-N
XLogP3.98
TPSA149.63 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.73
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175514785) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is Cc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC(C)C3(C)C)n2)cnc1OCCOC(C)C.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is GJLROKXGDKKJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O5S/c1-18(2)39-14-15-40-28-19(3)16-21(17-31-28)23-11-10-22(26(32-23)35-13-12-20(4)29(35,5)6)27(36)34-41(37,38)25-9-7-8-24(30)33-25/h7-11,16-18,20H,12-15H2,1-6H3,(H2,30,33)(H,34,36).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 582.73 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175514785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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