3-(aminomethyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide

C13H14N4O3S — CID 91026645

IUPAC3-(aminomethyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2cnc(CN)c(C(N)=O)n2)cc1
InChIInChI=1S/C13H14N4O3S/c1-21(19,20)9-4-2-8(3-5-9)11-7-16-10(6-14)12(17-11)13(15)18/h2-5,7H,6,14H2,1H3,(H2,15,18)
InChIKeyFXIOJVFMFGFWDC-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.10
Rot. Bonds4

About 3-(aminomethyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide

3-(aminomethyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide (PubChem CID 91026645) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
PubChem CID91026645
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name3-(aminomethyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2cnc(CN)c(C(N)=O)n2)cc1
InChIInChI=1S/C13H14N4O3S/c1-21(19,20)9-4-2-8(3-5-9)11-7-16-10(6-14)12(17-11)13(15)18/h2-5,7H,6,14H2,1H3,(H2,15,18)
InChIKeyFXIOJVFMFGFWDC-UHFFFAOYSA-N
XLogP0.10
TPSA129.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 175401274
3-amino-N-cyclohexyl-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 52937662
3-amino-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 130206353
[4-[[3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carbonyl]amino]phenyl]sulfonylmethylphosphonic acid
CID 166681364
3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
CID 158251208
3-(aminomethyl)-6-[3-(2-phenylethoxy)phenyl]pyrazine-2-carboxamide
CID 91210304
6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid
CID 77089426
3-(aminomethyl)-6-[3-(benzamidomethyl)phenyl]pyrazine-2-carboxamide
CID 91597918
3-(6-amino-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
CID 162647092
2-(4-methylsulfonylphenyl)-1,3-thiazole-5-carboxamide
CID 141096444
3-(aminomethyl)-6-[3-[[(4-phenoxyphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide
CID 91502013
3-(aminomethyl)-6-[3-[(3-phenoxybenzoyl)amino]phenyl]pyrazine-2-carboxamide
CID 91281479

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-(aminomethyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide (CID 91026645) is 3-(aminomethyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-(aminomethyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide is CS(=O)(=O)c1ccc(-c2cnc(CN)c(C(N)=O)n2)cc1.
What is the InChIKey of 3-(aminomethyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide?
The InChIKey is FXIOJVFMFGFWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-21(19,20)9-4-2-8(3-5-9)11-7-16-10(6-14)12(17-11)13(15)18/h2-5,7H,6,14H2,1H3,(H2,15,18).
What are the key properties of 3-(aminomethyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide?
3-(aminomethyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide has a molecular weight of 306.35 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 91026645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).