N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]benzamide

C20H17N7O2 — CID 5472801

IUPACN-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]benzamide
SMILESCN(/N=N/c1nc(OCc2ccccc2)c2[nH]cnc2n1)C(=O)c1ccccc1
InChIInChI=1S/C20H17N7O2/c1-27(19(28)15-10-6-3-7-11-15)26-25-20-23-17-16(21-13-22-17)18(24-20)29-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,21,22,23,24)/b26-25+
InChIKeyFTQVBRVAYJLSCO-OCEACIFDSA-N
MW387.40 g/mol
LogP3.70
Rot. Bonds6

About N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]benzamide

N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]benzamide (PubChem CID 5472801) has the molecular formula C20H17N7O2 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]benzamide
PubChem CID5472801
Molecular FormulaC20H17N7O2
Molecular Weight387.40 g/mol
Exact Mass387.14
IUPAC NameN-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]benzamide
SMILESCN(/N=N/c1nc(OCc2ccccc2)c2[nH]cnc2n1)C(=O)c1ccccc1
InChIInChI=1S/C20H17N7O2/c1-27(19(28)15-10-6-3-7-11-15)26-25-20-23-17-16(21-13-22-17)18(24-20)29-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,21,22,23,24)/b26-25+
InChIKeyFTQVBRVAYJLSCO-OCEACIFDSA-N
XLogP3.70
TPSA108.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]benzamide?
The IUPAC name of N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]benzamide (CID 5472801) is N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]benzamide.
What is the SMILES notation for N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]benzamide?
The canonical SMILES for N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]benzamide is CN(/N=N/c1nc(OCc2ccccc2)c2[nH]cnc2n1)C(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]benzamide?
The InChIKey is FTQVBRVAYJLSCO-OCEACIFDSA-N. The full InChI is InChI=1S/C20H17N7O2/c1-27(19(28)15-10-6-3-7-11-15)26-25-20-23-17-16(21-13-22-17)18(24-20)29-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,21,22,23,24)/b26-25+.
What are the key properties of N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]benzamide?
N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]benzamide has a molecular weight of 387.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]benzamide is sourced from PubChem (CID 5472801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).