N-(benzenesulfonyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-(3-trimethylsilylpyrazol-1-yl)pyridine-3-carboxamide

C25H33N5O3SSi — CID 156680988

IUPACN-(benzenesulfonyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-(3-trimethylsilylpyrazol-1-yl)pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc(-n3ccc([Si](C)(C)C)n3)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1
InChIInChI=1S/C25H33N5O3SSi/c1-18-16-25(2,3)29(17-18)23-20(24(31)28-34(32,33)19-10-8-7-9-11-19)12-13-21(26-23)30-15-14-22(27-30)35(4,5)6/h7-15,18H,16-17H2,1-6H3,(H,28,31)/t18-/m0/s1
InChIKeySUTFVZWOTFEIKJ-SFHVURJKSA-N
MW511.72 g/mol
LogP3.56
Rot. Bonds6

About N-(benzenesulfonyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-(3-trimethylsilylpyrazol-1-yl)pyridine-3-carboxamide

N-(benzenesulfonyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-(3-trimethylsilylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 156680988) has the molecular formula C25H33N5O3SSi and a molecular weight of 511.72 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-(3-trimethylsilylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-(3-trimethylsilylpyrazol-1-yl)pyridine-3-carboxamide
PubChem CID156680988
Molecular FormulaC25H33N5O3SSi
Molecular Weight511.72 g/mol
Exact Mass511.21
IUPAC NameN-(benzenesulfonyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-(3-trimethylsilylpyrazol-1-yl)pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc(-n3ccc([Si](C)(C)C)n3)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1
InChIInChI=1S/C25H33N5O3SSi/c1-18-16-25(2,3)29(17-18)23-20(24(31)28-34(32,33)19-10-8-7-9-11-19)12-13-21(26-23)30-15-14-22(27-30)35(4,5)6/h7-15,18H,16-17H2,1-6H3,(H,28,31)/t18-/m0/s1
InChIKeySUTFVZWOTFEIKJ-SFHVURJKSA-N
XLogP3.56
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.72
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-(3-trimethylsilylpyrazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-(3-trimethylsilylpyrazol-1-yl)pyridine-3-carboxamide (CID 156680988) is N-(benzenesulfonyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-(3-trimethylsilylpyrazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-(3-trimethylsilylpyrazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-(3-trimethylsilylpyrazol-1-yl)pyridine-3-carboxamide is C[C@@H]1CN(c2nc(-n3ccc([Si](C)(C)C)n3)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1.
What is the InChIKey of N-(benzenesulfonyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-(3-trimethylsilylpyrazol-1-yl)pyridine-3-carboxamide?
The InChIKey is SUTFVZWOTFEIKJ-SFHVURJKSA-N. The full InChI is InChI=1S/C25H33N5O3SSi/c1-18-16-25(2,3)29(17-18)23-20(24(31)28-34(32,33)19-10-8-7-9-11-19)12-13-21(26-23)30-15-14-22(27-30)35(4,5)6/h7-15,18H,16-17H2,1-6H3,(H,28,31)/t18-/m0/s1.
What are the key properties of N-(benzenesulfonyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-(3-trimethylsilylpyrazol-1-yl)pyridine-3-carboxamide?
N-(benzenesulfonyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-(3-trimethylsilylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 511.72 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-(3-trimethylsilylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 156680988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).