3-amino-N-(2-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide

C18H17N5O4S — CID 130206380

IUPAC3-amino-N-(2-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
SMILESCOc1ncccc1NC(=O)c1nc(-c2ccc(S(C)(=O)=O)cc2)cnc1N
InChIInChI=1S/C18H17N5O4S/c1-27-18-13(4-3-9-20-18)23-17(24)15-16(19)21-10-14(22-15)11-5-7-12(8-6-11)28(2,25)26/h3-10H,1-2H3,(H2,19,21)(H,23,24)
InChIKeyQOJRMBZPLNFUGI-UHFFFAOYSA-N
MW399.43 g/mol
LogP1.79
Rot. Bonds5

About 3-amino-N-(2-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide

3-amino-N-(2-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide (PubChem CID 130206380) has the molecular formula C18H17N5O4S and a molecular weight of 399.43 g/mol. Its IUPAC name is 3-amino-N-(2-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
PubChem CID130206380
Molecular FormulaC18H17N5O4S
Molecular Weight399.43 g/mol
Exact Mass399.10
IUPAC Name3-amino-N-(2-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
SMILESCOc1ncccc1NC(=O)c1nc(-c2ccc(S(C)(=O)=O)cc2)cnc1N
InChIInChI=1S/C18H17N5O4S/c1-27-18-13(4-3-9-20-18)23-17(24)15-16(19)21-10-14(22-15)11-5-7-12(8-6-11)28(2,25)26/h3-10H,1-2H3,(H2,19,21)(H,23,24)
InChIKeyQOJRMBZPLNFUGI-UHFFFAOYSA-N
XLogP1.79
TPSA137.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide (CID 130206380) is 3-amino-N-(2-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide is COc1ncccc1NC(=O)c1nc(-c2ccc(S(C)(=O)=O)cc2)cnc1N.
What is the InChIKey of 3-amino-N-(2-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide?
The InChIKey is QOJRMBZPLNFUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4S/c1-27-18-13(4-3-9-20-18)23-17(24)15-16(19)21-10-14(22-15)11-5-7-12(8-6-11)28(2,25)26/h3-10H,1-2H3,(H2,19,21)(H,23,24).
What are the key properties of 3-amino-N-(2-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide?
3-amino-N-(2-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide has a molecular weight of 399.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 130206380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).