N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,4-dimethylpyrrolidin-1-yl]-6-(2-hydroxyphenyl)pyridine-3-carboxamide

C23H25N5O4S — CID 155023695

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,4-dimethylpyrrolidin-1-yl]-6-(2-hydroxyphenyl)pyridine-3-carboxamide
SMILESCC1C[C@H](C)CN1c1nc(-c2ccccc2O)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1
InChIInChI=1S/C23H25N5O4S/c1-14-12-15(2)28(13-14)22-17(10-11-18(25-22)16-6-3-4-7-19(16)29)23(30)27-33(31,32)21-9-5-8-20(24)26-21/h3-11,14-15,29H,12-13H2,1-2H3,(H2,24,26)(H,27,30)/t14-,15?/m0/s1
InChIKeyWKGJGWWOOWKPDG-MLCCFXAWSA-N
MW467.55 g/mol
LogP2.78
Rot. Bonds5

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,4-dimethylpyrrolidin-1-yl]-6-(2-hydroxyphenyl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,4-dimethylpyrrolidin-1-yl]-6-(2-hydroxyphenyl)pyridine-3-carboxamide (PubChem CID 155023695) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,4-dimethylpyrrolidin-1-yl]-6-(2-hydroxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,4-dimethylpyrrolidin-1-yl]-6-(2-hydroxyphenyl)pyridine-3-carboxamide
PubChem CID155023695
Molecular FormulaC23H25N5O4S
Molecular Weight467.55 g/mol
Exact Mass467.16
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,4-dimethylpyrrolidin-1-yl]-6-(2-hydroxyphenyl)pyridine-3-carboxamide
SMILESCC1C[C@H](C)CN1c1nc(-c2ccccc2O)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1
InChIInChI=1S/C23H25N5O4S/c1-14-12-15(2)28(13-14)22-17(10-11-18(25-22)16-6-3-4-7-19(16)29)23(30)27-33(31,32)21-9-5-8-20(24)26-21/h3-11,14-15,29H,12-13H2,1-2H3,(H2,24,26)(H,27,30)/t14-,15?/m0/s1
InChIKeyWKGJGWWOOWKPDG-MLCCFXAWSA-N
XLogP2.78
TPSA138.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-hydroxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515735
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-(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]-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
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-methyl-5-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250578
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,4-difluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515675
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121251213
N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide)
CID 159271501
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

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,4-dimethylpyrrolidin-1-yl]-6-(2-hydroxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,4-dimethylpyrrolidin-1-yl]-6-(2-hydroxyphenyl)pyridine-3-carboxamide (CID 155023695) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,4-dimethylpyrrolidin-1-yl]-6-(2-hydroxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,4-dimethylpyrrolidin-1-yl]-6-(2-hydroxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,4-dimethylpyrrolidin-1-yl]-6-(2-hydroxyphenyl)pyridine-3-carboxamide is CC1C[C@H](C)CN1c1nc(-c2ccccc2O)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,4-dimethylpyrrolidin-1-yl]-6-(2-hydroxyphenyl)pyridine-3-carboxamide?
The InChIKey is WKGJGWWOOWKPDG-MLCCFXAWSA-N. The full InChI is InChI=1S/C23H25N5O4S/c1-14-12-15(2)28(13-14)22-17(10-11-18(25-22)16-6-3-4-7-19(16)29)23(30)27-33(31,32)21-9-5-8-20(24)26-21/h3-11,14-15,29H,12-13H2,1-2H3,(H2,24,26)(H,27,30)/t14-,15?/m0/s1.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,4-dimethylpyrrolidin-1-yl]-6-(2-hydroxyphenyl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,4-dimethylpyrrolidin-1-yl]-6-(2-hydroxyphenyl)pyridine-3-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,4-dimethylpyrrolidin-1-yl]-6-(2-hydroxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 155023695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).