N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-silyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C22H33N5O3SSi — CID 159069232

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-silyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2nc(C(C)(C)C)c([SiH3])cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C22H33N5O3SSi/c1-13-11-22(5,6)27(12-13)19-14(10-15(32)18(25-19)21(2,3)4)20(28)26-31(29,30)17-9-7-8-16(23)24-17/h7-10,13H,11-12H2,1-6,32H3,(H2,23,24)(H,26,28)
InChIKeyJZLAURGZGVRPBT-UHFFFAOYSA-N
MW475.69 g/mol
LogP1.09
Rot. Bonds4

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-silyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-silyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 159069232) has the molecular formula C22H33N5O3SSi and a molecular weight of 475.69 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-silyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-silyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID159069232
Molecular FormulaC22H33N5O3SSi
Molecular Weight475.69 g/mol
Exact Mass475.21
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-silyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2nc(C(C)(C)C)c([SiH3])cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C22H33N5O3SSi/c1-13-11-22(5,6)27(12-13)19-14(10-15(32)18(25-19)21(2,3)4)20(28)26-31(29,30)17-9-7-8-16(23)24-17/h7-10,13H,11-12H2,1-6,32H3,(H2,23,24)(H,26,28)
InChIKeyJZLAURGZGVRPBT-UHFFFAOYSA-N
XLogP1.09
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.69
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(2-methylprop-1-enyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251108
(E)-3-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-2-tert-butyl-6-(2,2,4-trimethylpyrrolidin-1-yl)-3-pyridinyl]prop-2-enoic acid
CID 121252406
N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(1R,2R)-2-cyclopentyl-1,2-dihydroxyethyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 155084211
N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251974
N-[(6-amino-2-pyridinyl)sulfonyl]-5-fluoro-2,6-bis[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121253317
N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-4-(2,2,4-trimethylpyrrolidin-1-yl)pyrimidine-5-carboxamide
CID 121252274
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-methylbut-2-en-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121252470
N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121253388
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-hydroxy-5-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 137054081
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121252027
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-methoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250915
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-methoxy-6-methyl-4-pyridinyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 155023671

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-silyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-silyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 159069232) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-silyl-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-silyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-silyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2nc(C(C)(C)C)c([SiH3])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-silyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is JZLAURGZGVRPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3SSi/c1-13-11-22(5,6)27(12-13)19-14(10-15(32)18(25-19)21(2,3)4)20(28)26-31(29,30)17-9-7-8-16(23)24-17/h7-10,13H,11-12H2,1-6,32H3,(H2,23,24)(H,26,28).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-silyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-silyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 475.69 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-silyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 159069232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).