N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-6-piperidin-1-ylpyridin-3-amine

C20H28N6O2S — CID 55511360

IUPACN-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-6-piperidin-1-ylpyridin-3-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(Nc3ccc(N4CCCCC4)nc3)nc2)CC1
InChIInChI=1S/C20H28N6O2S/c1-24-11-13-26(14-12-24)29(27,28)18-6-7-19(21-16-18)23-17-5-8-20(22-15-17)25-9-3-2-4-10-25/h5-8,15-16H,2-4,9-14H2,1H3,(H,21,23)
InChIKeyXVBFXLYOMYFRGD-UHFFFAOYSA-N
MW416.55 g/mol
LogP2.15
Rot. Bonds5

About N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-6-piperidin-1-ylpyridin-3-amine

N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-6-piperidin-1-ylpyridin-3-amine (PubChem CID 55511360) has the molecular formula C20H28N6O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-6-piperidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-6-piperidin-1-ylpyridin-3-amine
PubChem CID55511360
Molecular FormulaC20H28N6O2S
Molecular Weight416.55 g/mol
Exact Mass416.20
IUPAC NameN-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-6-piperidin-1-ylpyridin-3-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(Nc3ccc(N4CCCCC4)nc3)nc2)CC1
InChIInChI=1S/C20H28N6O2S/c1-24-11-13-26(14-12-24)29(27,28)18-6-7-19(21-16-18)23-17-5-8-20(22-15-17)25-9-3-2-4-10-25/h5-8,15-16H,2-4,9-14H2,1H3,(H,21,23)
InChIKeyXVBFXLYOMYFRGD-UHFFFAOYSA-N
XLogP2.15
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-6-piperidin-1-ylpyridin-3-amine with MolForge

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Related Compounds

N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 5268226
5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-5-azaspiro[2.5]octane
CID 133480963
1-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]sulfonylazepane
CID 24606772
1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 139004098
1-(4-methylphenyl)sulfonyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 16567822
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-3-methylsulfanylazepane
CID 133395006
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-4-phenylazepane
CID 133286681
N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268213
N-(4-butylphenyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 5267894
3-(azepan-1-ylsulfonyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 24592308
1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 3000054
1-propyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 133322500

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-6-piperidin-1-ylpyridin-3-amine?
The IUPAC name of N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-6-piperidin-1-ylpyridin-3-amine (CID 55511360) is N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-6-piperidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-6-piperidin-1-ylpyridin-3-amine?
The canonical SMILES for N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-6-piperidin-1-ylpyridin-3-amine is CN1CCN(S(=O)(=O)c2ccc(Nc3ccc(N4CCCCC4)nc3)nc2)CC1.
What is the InChIKey of N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-6-piperidin-1-ylpyridin-3-amine?
The InChIKey is XVBFXLYOMYFRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2S/c1-24-11-13-26(14-12-24)29(27,28)18-6-7-19(21-16-18)23-17-5-8-20(22-15-17)25-9-3-2-4-10-25/h5-8,15-16H,2-4,9-14H2,1H3,(H,21,23).
What are the key properties of N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-6-piperidin-1-ylpyridin-3-amine?
N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-6-piperidin-1-ylpyridin-3-amine has a molecular weight of 416.55 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-6-piperidin-1-ylpyridin-3-amine is sourced from PubChem (CID 55511360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).