3-amino-6-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide

C21H23N7O3S — CID 10141178

IUPAC3-amino-6-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)c2)CC1
InChIInChI=1S/C21H23N7O3S/c1-27-8-10-28(11-9-27)32(30,31)17-6-2-4-15(12-17)18-14-24-20(22)19(26-18)21(29)25-16-5-3-7-23-13-16/h2-7,12-14H,8-11H2,1H3,(H2,22,24)(H,25,29)
InChIKeyFICQQZAYTNFFTN-UHFFFAOYSA-N
MW453.53 g/mol
LogP1.31
Rot. Bonds5

About 3-amino-6-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide

3-amino-6-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (PubChem CID 10141178) has the molecular formula C21H23N7O3S and a molecular weight of 453.53 g/mol. Its IUPAC name is 3-amino-6-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
PubChem CID10141178
Molecular FormulaC21H23N7O3S
Molecular Weight453.53 g/mol
Exact Mass453.16
IUPAC Name3-amino-6-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)c2)CC1
InChIInChI=1S/C21H23N7O3S/c1-27-8-10-28(11-9-27)32(30,31)17-6-2-4-15(12-17)18-14-24-20(22)19(26-18)21(29)25-16-5-3-7-23-13-16/h2-7,12-14H,8-11H2,1H3,(H2,22,24)(H,25,29)
InChIKeyFICQQZAYTNFFTN-UHFFFAOYSA-N
XLogP1.31
TPSA134.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.53
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (CID 10141178) is 3-amino-6-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)c2)CC1.
What is the InChIKey of 3-amino-6-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The InChIKey is FICQQZAYTNFFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O3S/c1-27-8-10-28(11-9-27)32(30,31)17-6-2-4-15(12-17)18-14-24-20(22)19(26-18)21(29)25-16-5-3-7-23-13-16/h2-7,12-14H,8-11H2,1H3,(H2,22,24)(H,25,29).
What are the key properties of 3-amino-6-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
3-amino-6-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide has a molecular weight of 453.53 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is sourced from PubChem (CID 10141178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).