3-amino-N-pyridin-2-yl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazine-2-carboxamide

C18H19N7O3S2 — CID 66744771

IUPAC3-amino-N-pyridin-2-yl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESNc1ncc(N2CCN(S(=O)(=O)c3ccsc3)CC2)nc1C(=O)Nc1ccccn1
InChIInChI=1S/C18H19N7O3S2/c19-17-16(18(26)22-14-3-1-2-5-20-14)23-15(11-21-17)24-6-8-25(9-7-24)30(27,28)13-4-10-29-12-13/h1-5,10-12H,6-9H2,(H2,19,21)(H,20,22,26)
InChIKeyNKGBFYKHQSXENF-UHFFFAOYSA-N
MW445.53 g/mol
LogP1.28
Rot. Bonds5

About 3-amino-N-pyridin-2-yl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazine-2-carboxamide

3-amino-N-pyridin-2-yl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazine-2-carboxamide (PubChem CID 66744771) has the molecular formula C18H19N7O3S2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 3-amino-N-pyridin-2-yl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-pyridin-2-yl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazine-2-carboxamide
PubChem CID66744771
Molecular FormulaC18H19N7O3S2
Molecular Weight445.53 g/mol
Exact Mass445.10
IUPAC Name3-amino-N-pyridin-2-yl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESNc1ncc(N2CCN(S(=O)(=O)c3ccsc3)CC2)nc1C(=O)Nc1ccccn1
InChIInChI=1S/C18H19N7O3S2/c19-17-16(18(26)22-14-3-1-2-5-20-14)23-15(11-21-17)24-6-8-25(9-7-24)30(27,28)13-4-10-29-12-13/h1-5,10-12H,6-9H2,(H2,19,21)(H,20,22,26)
InChIKeyNKGBFYKHQSXENF-UHFFFAOYSA-N
XLogP1.28
TPSA134.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

3-amino-6-[4-(morpholine-4-carbonyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide
CID 66745239
3-methyl-6-(4-propylsulfonylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen
CID 162234721
3-amino-6-[2,5-difluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-2-ylpyrazine-2-carboxamide
CID 90904256
2-[3-methyl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 158857920
3-methyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen
CID 160595614
6-(4-acetylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide
CID 123957243
2-phenyl-5-[6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,3,4-oxadiazole
CID 123215375
4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide
CID 6503383
5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
CID 66745389
N-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 110300305
3-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
CID 1326475
N-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 167788841

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-pyridin-2-yl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-pyridin-2-yl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazine-2-carboxamide (CID 66744771) is 3-amino-N-pyridin-2-yl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-pyridin-2-yl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-pyridin-2-yl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazine-2-carboxamide is Nc1ncc(N2CCN(S(=O)(=O)c3ccsc3)CC2)nc1C(=O)Nc1ccccn1.
What is the InChIKey of 3-amino-N-pyridin-2-yl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazine-2-carboxamide?
The InChIKey is NKGBFYKHQSXENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O3S2/c19-17-16(18(26)22-14-3-1-2-5-20-14)23-15(11-21-17)24-6-8-25(9-7-24)30(27,28)13-4-10-29-12-13/h1-5,10-12H,6-9H2,(H2,19,21)(H,20,22,26).
What are the key properties of 3-amino-N-pyridin-2-yl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazine-2-carboxamide?
3-amino-N-pyridin-2-yl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazine-2-carboxamide has a molecular weight of 445.53 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-pyridin-2-yl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 66744771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).