N-[6-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrazin-2-amine

C22H25N5O2S — CID 124964128

IUPACN-[6-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrazin-2-amine
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](c3cccc(Nc4cnccn4)n3)C2)cc1C
InChIInChI=1S/C22H25N5O2S/c1-16-8-9-19(13-17(16)2)30(28,29)27-12-4-5-18(15-27)20-6-3-7-21(25-20)26-22-14-23-10-11-24-22/h3,6-11,13-14,18H,4-5,12,15H2,1-2H3,(H,24,25,26)/t18-/m1/s1
InChIKeyHVHSWWFGRHFRAQ-GOSISDBHSA-N
MW423.54 g/mol
LogP3.80
Rot. Bonds5

About N-[6-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrazin-2-amine

N-[6-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrazin-2-amine (PubChem CID 124964128) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[6-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[6-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrazin-2-amine
PubChem CID124964128
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC NameN-[6-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrazin-2-amine
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](c3cccc(Nc4cnccn4)n3)C2)cc1C
InChIInChI=1S/C22H25N5O2S/c1-16-8-9-19(13-17(16)2)30(28,29)27-12-4-5-18(15-27)20-6-3-7-21(25-20)26-22-14-23-10-11-24-22/h3,6-11,13-14,18H,4-5,12,15H2,1-2H3,(H,24,25,26)/t18-/m1/s1
InChIKeyHVHSWWFGRHFRAQ-GOSISDBHSA-N
XLogP3.80
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110265538
N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine
CID 110265009
4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine
CID 110268414
N-[6-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]pyrazin-2-amine
CID 110093962
4-N-[4-[(3S)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]pyrimidin-2-yl]-6-N-methylpyrimidine-4,6-diamine
CID 124945204
2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine
CID 110259171
phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 124998713
(4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 125005367
N-[6-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 110265405
4-(4-fluoro-3-methylphenyl)-1-[(3R)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]butan-1-one
CID 125019625
6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine
CID 110252903
[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 124982023

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-[6-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrazin-2-amine (CID 124964128) is N-[6-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-[6-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-[6-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrazin-2-amine is Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3cccc(Nc4cnccn4)n3)C2)cc1C.
What is the InChIKey of N-[6-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrazin-2-amine?
The InChIKey is HVHSWWFGRHFRAQ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25N5O2S/c1-16-8-9-19(13-17(16)2)30(28,29)27-12-4-5-18(15-27)20-6-3-7-21(25-20)26-22-14-23-10-11-24-22/h3,6-11,13-14,18H,4-5,12,15H2,1-2H3,(H,24,25,26)/t18-/m1/s1.
What are the key properties of N-[6-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrazin-2-amine?
N-[6-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrazin-2-amine has a molecular weight of 423.54 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 124964128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).