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

C22H25N5O4S — CID 166756834

IUPACN-(benzenesulfonyl)-6-(3-hydroxypyrazol-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc(C3(O)C=CN=N3)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1
InChIInChI=1S/C22H25N5O4S/c1-15-13-21(2,3)27(14-15)19-17(9-10-18(24-19)22(29)11-12-23-26-22)20(28)25-32(30,31)16-7-5-4-6-8-16/h4-12,15,29H,13-14H2,1-3H3,(H,25,28)/t15-,22?/m0/s1
InChIKeyPSJQNFSLNLNEGI-UEDXYCIISA-N
MW455.54 g/mol
LogP2.95
Rot. Bonds5

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

N-(benzenesulfonyl)-6-(3-hydroxypyrazol-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 166756834) has the molecular formula C22H25N5O4S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-(benzenesulfonyl)-6-(3-hydroxypyrazol-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-6-(3-hydroxypyrazol-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID166756834
Molecular FormulaC22H25N5O4S
Molecular Weight455.54 g/mol
Exact Mass455.16
IUPAC NameN-(benzenesulfonyl)-6-(3-hydroxypyrazol-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc(C3(O)C=CN=N3)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1
InChIInChI=1S/C22H25N5O4S/c1-15-13-21(2,3)27(14-15)19-17(9-10-18(24-19)22(29)11-12-23-26-22)20(28)25-32(30,31)16-7-5-4-6-8-16/h4-12,15,29H,13-14H2,1-3H3,(H,25,28)/t15-,22?/m0/s1
InChIKeyPSJQNFSLNLNEGI-UEDXYCIISA-N
XLogP2.95
TPSA124.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(benzenesulfonyl)-6-(6-methoxy-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121252527
N-(benzenesulfonyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-(3-trimethylsilylpyrazol-1-yl)pyridine-3-carboxamide
CID 156680988
N-(benzenesulfonyl)-6-[3-[[dimethyl(propan-2-yl)silyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 169276156
N-(benzenesulfonyl)-6-[3-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 134393675
N-(benzenesulfonyl)-6-[3-[[1-(2-fluoropropan-2-yl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 166761913
6-chloro-5-fluoro-N-pyridin-3-ylsulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 135194127
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-anilino-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252043
N-[[6-(cyclooctylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250677
N-[[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121253360
N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-trimethylsilylpyridine-3-carboxamide
CID 155784127
N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-[2-(trifluoromethyl)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250640

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-6-(3-hydroxypyrazol-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-6-(3-hydroxypyrazol-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 166756834) is N-(benzenesulfonyl)-6-(3-hydroxypyrazol-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-6-(3-hydroxypyrazol-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-6-(3-hydroxypyrazol-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is C[C@@H]1CN(c2nc(C3(O)C=CN=N3)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1.
What is the InChIKey of N-(benzenesulfonyl)-6-(3-hydroxypyrazol-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is PSJQNFSLNLNEGI-UEDXYCIISA-N. The full InChI is InChI=1S/C22H25N5O4S/c1-15-13-21(2,3)27(14-15)19-17(9-10-18(24-19)22(29)11-12-23-26-22)20(28)25-32(30,31)16-7-5-4-6-8-16/h4-12,15,29H,13-14H2,1-3H3,(H,25,28)/t15-,22?/m0/s1.
What are the key properties of N-(benzenesulfonyl)-6-(3-hydroxypyrazol-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-(benzenesulfonyl)-6-(3-hydroxypyrazol-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-6-(3-hydroxypyrazol-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 166756834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).