6-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-methyl-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen

C18H25N5O3S — CID 162048758

IUPAC6-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-methyl-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen
SMILESCCS(=O)(=O)N1CC=C(c2cnc(C)c(C(=O)Nc3ccccn3)n2)CC1.[H][H].[H][H]
InChIInChI=1S/C18H21N5O3S.2H2/c1-3-27(25,26)23-10-7-14(8-11-23)15-12-20-13(2)17(21-15)18(24)22-16-6-4-5-9-19-16;;/h4-7,9,12H,3,8,10-11H2,1-2H3,(H,19,22,24);2*1H
InChIKeyYYGLRBIGMJNQHP-UHFFFAOYSA-N
MW391.50 g/mol
LogP2.36
Rot. Bonds5

About 6-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-methyl-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen

6-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-methyl-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen (PubChem CID 162048758) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is 6-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-methyl-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name6-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-methyl-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen
PubChem CID162048758
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name6-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-methyl-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen
SMILESCCS(=O)(=O)N1CC=C(c2cnc(C)c(C(=O)Nc3ccccn3)n2)CC1.[H][H].[H][H]
InChIInChI=1S/C18H21N5O3S.2H2/c1-3-27(25,26)23-10-7-14(8-11-23)15-12-20-13(2)17(21-15)18(24)22-16-6-4-5-9-19-16;;/h4-7,9,12H,3,8,10-11H2,1-2H3,(H,19,22,24);2*1H
InChIKeyYYGLRBIGMJNQHP-UHFFFAOYSA-N
XLogP2.36
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-methyl-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen with MolForge

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Related Compounds

3-methyl-6-(4-propylsulfonylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen
CID 162234721
3-amino-6-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-N-(2-methyl-4-pyridinyl)pyrazine-2-carboxamide
CID 66745479
3-methyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen
CID 160595614
5-chloro-2-ethylsulfonyl-N-pyridin-2-ylpyrimidine-4-carboxamide
CID 19245788
5-methyl-N-pyridin-2-ylpyrimidine-2-carboxamide
CID 134531316
3-(4-methylphenyl)-N-pyridin-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 45106502
3-amino-6-[2,5-difluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-2-ylpyrazine-2-carboxamide
CID 90904256
4-methyl-N-pyridin-2-yl-1,2,5-oxadiazole-3-carboxamide
CID 110692016
molecular hydrogen;N-pyridin-2-ylbutanamide
CID 142960531
2-[5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-methyl-3-pyridinyl]-5-phenyl-1,3,4-oxadiazole
CID 157363288
1-methyl-3-N,4-N-dipyridin-2-ylpyrazole-3,4-dicarboxamide
CID 29097607
3-amino-N-pyridin-2-yl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazine-2-carboxamide
CID 66744771

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-methyl-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen?
The IUPAC name of 6-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-methyl-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen (CID 162048758) is 6-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-methyl-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 6-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-methyl-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 6-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-methyl-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen is CCS(=O)(=O)N1CC=C(c2cnc(C)c(C(=O)Nc3ccccn3)n2)CC1.[H][H].[H][H].
What is the InChIKey of 6-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-methyl-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen?
The InChIKey is YYGLRBIGMJNQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S.2H2/c1-3-27(25,26)23-10-7-14(8-11-23)15-12-20-13(2)17(21-15)18(24)22-16-6-4-5-9-19-16;;/h4-7,9,12H,3,8,10-11H2,1-2H3,(H,19,22,24);2*1H.
What are the key properties of 6-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-methyl-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen?
6-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-methyl-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen has a molecular weight of 391.50 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-methyl-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 162048758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).