3-diazenyl-6-N-[4-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyrazine-2,6-diamine

C22H22N8O2 — CID 139321349

IUPAC3-diazenyl-6-N-[4-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyrazine-2,6-diamine
SMILES[H]/N=N/c1ncc(Nc2cnccc2OCCOC)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C22H22N8O2/c1-31-9-10-32-19-6-8-24-13-18(19)28-20-14-27-22(30-23)21(29-20)26-12-15-4-5-17-16(11-15)3-2-7-25-17/h2-8,11,13-14,23H,9-10,12H2,1H3,(H2,26,28,29)/b30-23+
InChIKeyLYWHRWIBFCNABK-JJKYIXSRSA-N
MW430.47 g/mol
LogP4.46
Rot. Bonds10

About 3-diazenyl-6-N-[4-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyrazine-2,6-diamine

3-diazenyl-6-N-[4-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyrazine-2,6-diamine (PubChem CID 139321349) has the molecular formula C22H22N8O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 3-diazenyl-6-N-[4-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name3-diazenyl-6-N-[4-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyrazine-2,6-diamine
PubChem CID139321349
Molecular FormulaC22H22N8O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC Name3-diazenyl-6-N-[4-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyrazine-2,6-diamine
SMILES[H]/N=N/c1ncc(Nc2cnccc2OCCOC)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C22H22N8O2/c1-31-9-10-32-19-6-8-24-13-18(19)28-20-14-27-22(30-23)21(29-20)26-12-15-4-5-17-16(11-15)3-2-7-25-17/h2-8,11,13-14,23H,9-10,12H2,1H3,(H2,26,28,29)/b30-23+
InChIKeyLYWHRWIBFCNABK-JJKYIXSRSA-N
XLogP4.46
TPSA130.29 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-diazenyl-6-N-[4-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyrazine-2,6-diamine?
The IUPAC name of 3-diazenyl-6-N-[4-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyrazine-2,6-diamine (CID 139321349) is 3-diazenyl-6-N-[4-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyrazine-2,6-diamine.
What is the SMILES notation for 3-diazenyl-6-N-[4-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyrazine-2,6-diamine?
The canonical SMILES for 3-diazenyl-6-N-[4-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyrazine-2,6-diamine is [H]/N=N/c1ncc(Nc2cnccc2OCCOC)nc1NCc1ccc2ncccc2c1.
What is the InChIKey of 3-diazenyl-6-N-[4-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyrazine-2,6-diamine?
The InChIKey is LYWHRWIBFCNABK-JJKYIXSRSA-N. The full InChI is InChI=1S/C22H22N8O2/c1-31-9-10-32-19-6-8-24-13-18(19)28-20-14-27-22(30-23)21(29-20)26-12-15-4-5-17-16(11-15)3-2-7-25-17/h2-8,11,13-14,23H,9-10,12H2,1H3,(H2,26,28,29)/b30-23+.
What are the key properties of 3-diazenyl-6-N-[4-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyrazine-2,6-diamine?
3-diazenyl-6-N-[4-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyrazine-2,6-diamine has a molecular weight of 430.47 g/mol, XLogP of 4.46, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazenyl-6-N-[4-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyrazine-2,6-diamine is sourced from PubChem (CID 139321349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).