6-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-3-amine

C22H24N4O3S — CID 95813435

IUPAC6-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-3-amine
SMILESO=S(=O)(CCOc1ccccc1)N1CCC[C@H]1c1ccc(Nc2ccccn2)cn1
InChIInChI=1S/C22H24N4O3S/c27-30(28,16-15-29-19-7-2-1-3-8-19)26-14-6-9-21(26)20-12-11-18(17-24-20)25-22-10-4-5-13-23-22/h1-5,7-8,10-13,17,21H,6,9,14-16H2,(H,23,25)/t21-/m0/s1
InChIKeyPEKJTSCXVJNJHZ-NRFANRHFSA-N
MW424.53 g/mol
LogP3.77
Rot. Bonds8

About 6-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-3-amine

6-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-3-amine (PubChem CID 95813435) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 6-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-3-amine.

Molecular Properties

Compound Name6-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-3-amine
PubChem CID95813435
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name6-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-3-amine
SMILESO=S(=O)(CCOc1ccccc1)N1CCC[C@H]1c1ccc(Nc2ccccn2)cn1
InChIInChI=1S/C22H24N4O3S/c27-30(28,16-15-29-19-7-2-1-3-8-19)26-14-6-9-21(26)20-12-11-18(17-24-20)25-22-10-4-5-13-23-22/h1-5,7-8,10-13,17,21H,6,9,14-16H2,(H,23,25)/t21-/m0/s1
InChIKeyPEKJTSCXVJNJHZ-NRFANRHFSA-N
XLogP3.77
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenoxy-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95813317
6-[(2R)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyrazin-2-amine
CID 95836399
pyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95813329
N-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110252150
2-[2-methoxy-4-[[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 95813466
2-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92575390
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95813369
3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 110252269
N-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 95813322
2-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]pyridine
CID 110871726
N-(5-fluoro-2-pyridinyl)-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-3-amine
CID 95813512
6-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 95836219

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-3-amine?
The IUPAC name of 6-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-3-amine (CID 95813435) is 6-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-3-amine.
What is the SMILES notation for 6-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-3-amine?
The canonical SMILES for 6-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-3-amine is O=S(=O)(CCOc1ccccc1)N1CCC[C@H]1c1ccc(Nc2ccccn2)cn1.
What is the InChIKey of 6-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-3-amine?
The InChIKey is PEKJTSCXVJNJHZ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H24N4O3S/c27-30(28,16-15-29-19-7-2-1-3-8-19)26-14-6-9-21(26)20-12-11-18(17-24-20)25-22-10-4-5-13-23-22/h1-5,7-8,10-13,17,21H,6,9,14-16H2,(H,23,25)/t21-/m0/s1.
What are the key properties of 6-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-3-amine?
6-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-3-amine has a molecular weight of 424.53 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-3-amine is sourced from PubChem (CID 95813435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).