[3-amino-6-(5-amino-2-methoxyphenyl)pyrazin-2-yl]-pyridin-3-ylmethanone

C17H15N5O2 — CID 134812698

IUPAC[3-amino-6-(5-amino-2-methoxyphenyl)pyrazin-2-yl]-pyridin-3-ylmethanone
SMILESCOc1ccc(N)cc1-c1cnc(N)c(C(=O)c2cccnc2)n1
InChIInChI=1S/C17H15N5O2/c1-24-14-5-4-11(18)7-12(14)13-9-21-17(19)15(22-13)16(23)10-3-2-6-20-8-10/h2-9H,18H2,1H3,(H2,19,21)
InChIKeyWJYWQSXTQZIHBX-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.94
Rot. Bonds4

About [3-amino-6-(5-amino-2-methoxyphenyl)pyrazin-2-yl]-pyridin-3-ylmethanone

[3-amino-6-(5-amino-2-methoxyphenyl)pyrazin-2-yl]-pyridin-3-ylmethanone (PubChem CID 134812698) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is [3-amino-6-(5-amino-2-methoxyphenyl)pyrazin-2-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-amino-6-(5-amino-2-methoxyphenyl)pyrazin-2-yl]-pyridin-3-ylmethanone
PubChem CID134812698
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name[3-amino-6-(5-amino-2-methoxyphenyl)pyrazin-2-yl]-pyridin-3-ylmethanone
SMILESCOc1ccc(N)cc1-c1cnc(N)c(C(=O)c2cccnc2)n1
InChIInChI=1S/C17H15N5O2/c1-24-14-5-4-11(18)7-12(14)13-9-21-17(19)15(22-13)16(23)10-3-2-6-20-8-10/h2-9H,18H2,1H3,(H2,19,21)
InChIKeyWJYWQSXTQZIHBX-UHFFFAOYSA-N
XLogP1.94
TPSA117.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(5-amino-2-methoxyphenyl)pyrazin-2-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-amino-6-(5-amino-2-methoxyphenyl)pyrazin-2-yl]-pyridin-3-ylmethanone (CID 134812698) is [3-amino-6-(5-amino-2-methoxyphenyl)pyrazin-2-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-amino-6-(5-amino-2-methoxyphenyl)pyrazin-2-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-amino-6-(5-amino-2-methoxyphenyl)pyrazin-2-yl]-pyridin-3-ylmethanone is COc1ccc(N)cc1-c1cnc(N)c(C(=O)c2cccnc2)n1.
What is the InChIKey of [3-amino-6-(5-amino-2-methoxyphenyl)pyrazin-2-yl]-pyridin-3-ylmethanone?
The InChIKey is WJYWQSXTQZIHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-24-14-5-4-11(18)7-12(14)13-9-21-17(19)15(22-13)16(23)10-3-2-6-20-8-10/h2-9H,18H2,1H3,(H2,19,21).
What are the key properties of [3-amino-6-(5-amino-2-methoxyphenyl)pyrazin-2-yl]-pyridin-3-ylmethanone?
[3-amino-6-(5-amino-2-methoxyphenyl)pyrazin-2-yl]-pyridin-3-ylmethanone has a molecular weight of 321.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(5-amino-2-methoxyphenyl)pyrazin-2-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 134812698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).