5-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2-oxazol-5-yl)pyridin-2-amine

C22H26N4O3S — CID 118470123

IUPAC5-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2-oxazol-5-yl)pyridin-2-amine
SMILESCc1cc(-c2cc(-c3cc(S(=O)(=O)N4CCCC4(C)C)ccc3C)cnc2N)on1
InChIInChI=1S/C22H26N4O3S/c1-14-6-7-17(30(27,28)26-9-5-8-22(26,3)4)12-18(14)16-11-19(21(23)24-13-16)20-10-15(2)25-29-20/h6-7,10-13H,5,8-9H2,1-4H3,(H2,23,24)
InChIKeyAWWYEVODAMLABW-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.17
Rot. Bonds4

About 5-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2-oxazol-5-yl)pyridin-2-amine

5-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2-oxazol-5-yl)pyridin-2-amine (PubChem CID 118470123) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 5-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2-oxazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2-oxazol-5-yl)pyridin-2-amine
PubChem CID118470123
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name5-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2-oxazol-5-yl)pyridin-2-amine
SMILESCc1cc(-c2cc(-c3cc(S(=O)(=O)N4CCCC4(C)C)ccc3C)cnc2N)on1
InChIInChI=1S/C22H26N4O3S/c1-14-6-7-17(30(27,28)26-9-5-8-22(26,3)4)12-18(14)16-11-19(21(23)24-13-16)20-10-15(2)25-29-20/h6-7,10-13H,5,8-9H2,1-4H3,(H2,23,24)
InChIKeyAWWYEVODAMLABW-UHFFFAOYSA-N
XLogP4.17
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-[3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methylphenyl]sulfonylpyrrolidin-2-yl]methanol
CID 118469981
[(2S)-1-[3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methylphenyl]sulfonylpyrrolidin-2-yl]methanol;sulfane
CID 159510129
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N,4-dimethylbenzenesulfonamide
CID 139499925
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
CID 118470166
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzenesulfonamide
CID 118469990
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 126512349
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 118470402
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(3-hydroxycyclopentyl)-4-methylbenzenesulfonamide
CID 118470154
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-[2-(oxan-4-yl)ethyl]benzenesulfonamide
CID 126512423
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 118470041
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 126512348
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide;hydrochloride
CID 126512138

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2-oxazol-5-yl)pyridin-2-amine?
The IUPAC name of 5-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2-oxazol-5-yl)pyridin-2-amine (CID 118470123) is 5-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2-oxazol-5-yl)pyridin-2-amine.
What is the SMILES notation for 5-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2-oxazol-5-yl)pyridin-2-amine?
The canonical SMILES for 5-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2-oxazol-5-yl)pyridin-2-amine is Cc1cc(-c2cc(-c3cc(S(=O)(=O)N4CCCC4(C)C)ccc3C)cnc2N)on1.
What is the InChIKey of 5-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2-oxazol-5-yl)pyridin-2-amine?
The InChIKey is AWWYEVODAMLABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-14-6-7-17(30(27,28)26-9-5-8-22(26,3)4)12-18(14)16-11-19(21(23)24-13-16)20-10-15(2)25-29-20/h6-7,10-13H,5,8-9H2,1-4H3,(H2,23,24).
What are the key properties of 5-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2-oxazol-5-yl)pyridin-2-amine?
5-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2-oxazol-5-yl)pyridin-2-amine has a molecular weight of 426.54 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2-oxazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 118470123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).