N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]pyridine-3-carboxamide

C19H16N8O2 — CID 11326681

IUPACN-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]pyridine-3-carboxamide
SMILESCN(/N=N/c1nc(OCc2ccccc2)c2[nH]cnc2n1)C(=O)c1cccnc1
InChIInChI=1S/C19H16N8O2/c1-27(18(28)14-8-5-9-20-10-14)26-25-19-23-16-15(21-12-22-16)17(24-19)29-11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,21,22,23,24)/b26-25+
InChIKeyKMWINZKPBZOZNR-OCEACIFDSA-N
MW388.39 g/mol
LogP3.10
Rot. Bonds6

About N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]pyridine-3-carboxamide

N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]pyridine-3-carboxamide (PubChem CID 11326681) has the molecular formula C19H16N8O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]pyridine-3-carboxamide
PubChem CID11326681
Molecular FormulaC19H16N8O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC NameN-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]pyridine-3-carboxamide
SMILESCN(/N=N/c1nc(OCc2ccccc2)c2[nH]cnc2n1)C(=O)c1cccnc1
InChIInChI=1S/C19H16N8O2/c1-27(18(28)14-8-5-9-20-10-14)26-25-19-23-16-15(21-12-22-16)17(24-19)29-11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,21,22,23,24)/b26-25+
InChIKeyKMWINZKPBZOZNR-OCEACIFDSA-N
XLogP3.10
TPSA121.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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]pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]pyridine-3-carboxamide (CID 11326681) is N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]pyridine-3-carboxamide is CN(/N=N/c1nc(OCc2ccccc2)c2[nH]cnc2n1)C(=O)c1cccnc1.
What is the InChIKey of N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]pyridine-3-carboxamide?
The InChIKey is KMWINZKPBZOZNR-OCEACIFDSA-N. The full InChI is InChI=1S/C19H16N8O2/c1-27(18(28)14-8-5-9-20-10-14)26-25-19-23-16-15(21-12-22-16)17(24-19)29-11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,21,22,23,24)/b26-25+.
What are the key properties of N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]pyridine-3-carboxamide?
N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]pyridine-3-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11326681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).