3-amino-6-(4-methylphenyl)-N-(6-sulfinamoyl-3-pyridinyl)pyrazine-2-carboxamide

C17H16N6O2S — CID 156817180

IUPAC3-amino-6-(4-methylphenyl)-N-(6-sulfinamoyl-3-pyridinyl)pyrazine-2-carboxamide
SMILESCc1ccc(-c2cnc(N)c(C(=O)Nc3ccc(S(N)=O)nc3)n2)cc1
InChIInChI=1S/C17H16N6O2S/c1-10-2-4-11(5-3-10)13-9-21-16(18)15(23-13)17(24)22-12-6-7-14(20-8-12)26(19)25/h2-9H,19H2,1H3,(H2,18,21)(H,22,24)
InChIKeyBCQSCJSKAUYOKK-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.66
Rot. Bonds4

About 3-amino-6-(4-methylphenyl)-N-(6-sulfinamoyl-3-pyridinyl)pyrazine-2-carboxamide

3-amino-6-(4-methylphenyl)-N-(6-sulfinamoyl-3-pyridinyl)pyrazine-2-carboxamide (PubChem CID 156817180) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is 3-amino-6-(4-methylphenyl)-N-(6-sulfinamoyl-3-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(4-methylphenyl)-N-(6-sulfinamoyl-3-pyridinyl)pyrazine-2-carboxamide
PubChem CID156817180
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC Name3-amino-6-(4-methylphenyl)-N-(6-sulfinamoyl-3-pyridinyl)pyrazine-2-carboxamide
SMILESCc1ccc(-c2cnc(N)c(C(=O)Nc3ccc(S(N)=O)nc3)n2)cc1
InChIInChI=1S/C17H16N6O2S/c1-10-2-4-11(5-3-10)13-9-21-16(18)15(23-13)17(24)22-12-6-7-14(20-8-12)26(19)25/h2-9H,19H2,1H3,(H2,18,21)(H,22,24)
InChIKeyBCQSCJSKAUYOKK-UHFFFAOYSA-N
XLogP1.66
TPSA136.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-[4-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazine-2-carboxamide
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3-Amino-N-[4-(4-amino-1-piperidinyl)-3-pyridinyl]-6-phenyl-2-pyrazinecarboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-methylphenyl)-N-(6-sulfinamoyl-3-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(4-methylphenyl)-N-(6-sulfinamoyl-3-pyridinyl)pyrazine-2-carboxamide (CID 156817180) is 3-amino-6-(4-methylphenyl)-N-(6-sulfinamoyl-3-pyridinyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(4-methylphenyl)-N-(6-sulfinamoyl-3-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(4-methylphenyl)-N-(6-sulfinamoyl-3-pyridinyl)pyrazine-2-carboxamide is Cc1ccc(-c2cnc(N)c(C(=O)Nc3ccc(S(N)=O)nc3)n2)cc1.
What is the InChIKey of 3-amino-6-(4-methylphenyl)-N-(6-sulfinamoyl-3-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is BCQSCJSKAUYOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S/c1-10-2-4-11(5-3-10)13-9-21-16(18)15(23-13)17(24)22-12-6-7-14(20-8-12)26(19)25/h2-9H,19H2,1H3,(H2,18,21)(H,22,24).
What are the key properties of 3-amino-6-(4-methylphenyl)-N-(6-sulfinamoyl-3-pyridinyl)pyrazine-2-carboxamide?
3-amino-6-(4-methylphenyl)-N-(6-sulfinamoyl-3-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-methylphenyl)-N-(6-sulfinamoyl-3-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 156817180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).