3-methyl-6-(4-propylsulfonylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen

C18H28N6O3S — CID 162234721

IUPAC3-methyl-6-(4-propylsulfonylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen
SMILESCCCS(=O)(=O)N1CCN(c2cnc(C)c(C(=O)Nc3ccccn3)n2)CC1.[H][H].[H][H]
InChIInChI=1S/C18H24N6O3S.2H2/c1-3-12-28(26,27)24-10-8-23(9-11-24)16-13-20-14(2)17(22-16)18(25)21-15-6-4-5-7-19-15;;/h4-7,13H,3,8-12H2,1-2H3,(H,19,21,25);2*1H
InChIKeyZVXGQXXWYCPHBX-UHFFFAOYSA-N
MW408.53 g/mol
LogP1.79
Rot. Bonds6

About 3-methyl-6-(4-propylsulfonylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen

3-methyl-6-(4-propylsulfonylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen (PubChem CID 162234721) has the molecular formula C18H28N6O3S and a molecular weight of 408.53 g/mol. Its IUPAC name is 3-methyl-6-(4-propylsulfonylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name3-methyl-6-(4-propylsulfonylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen
PubChem CID162234721
Molecular FormulaC18H28N6O3S
Molecular Weight408.53 g/mol
Exact Mass408.19
IUPAC Name3-methyl-6-(4-propylsulfonylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen
SMILESCCCS(=O)(=O)N1CCN(c2cnc(C)c(C(=O)Nc3ccccn3)n2)CC1.[H][H].[H][H]
InChIInChI=1S/C18H24N6O3S.2H2/c1-3-12-28(26,27)24-10-8-23(9-11-24)16-13-20-14(2)17(22-16)18(25)21-15-6-4-5-7-19-15;;/h4-7,13H,3,8-12H2,1-2H3,(H,19,21,25);2*1H
InChIKeyZVXGQXXWYCPHBX-UHFFFAOYSA-N
XLogP1.79
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen
CID 160595614
6-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-methyl-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen
CID 162048758
3-amino-N-pyridin-2-yl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazine-2-carboxamide
CID 66744771
3-amino-6-[4-(morpholine-4-carbonyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide
CID 66745239
6-(4-acetylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide
CID 123957243
2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide
CID 42438782
5-chloro-2-ethylsulfonyl-N-pyridin-2-ylpyrimidine-4-carboxamide
CID 19245788
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438737
1-propylsulfonyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-2-carboxamide
CID 55835325
4-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
CID 47031694
N-(4-methyl-2-pyridinyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine
CID 121064712
6-[4-(2-methoxyacetyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide
CID 123151120

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-propylsulfonylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen?
The IUPAC name of 3-methyl-6-(4-propylsulfonylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen (CID 162234721) is 3-methyl-6-(4-propylsulfonylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 3-methyl-6-(4-propylsulfonylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 3-methyl-6-(4-propylsulfonylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen is CCCS(=O)(=O)N1CCN(c2cnc(C)c(C(=O)Nc3ccccn3)n2)CC1.[H][H].[H][H].
What is the InChIKey of 3-methyl-6-(4-propylsulfonylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen?
The InChIKey is ZVXGQXXWYCPHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3S.2H2/c1-3-12-28(26,27)24-10-8-23(9-11-24)16-13-20-14(2)17(22-16)18(25)21-15-6-4-5-7-19-15;;/h4-7,13H,3,8-12H2,1-2H3,(H,19,21,25);2*1H.
What are the key properties of 3-methyl-6-(4-propylsulfonylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen?
3-methyl-6-(4-propylsulfonylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen has a molecular weight of 408.53 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-propylsulfonylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 162234721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).