2-hydroxy-2-phenylacetamide;2-methyl-1H-pyrrole;pyridazine;selenadiazole

C19H22N6O2Se — CID 175521744

IUPAC2-hydroxy-2-phenylacetamide;2-methyl-1H-pyrrole;pyridazine;selenadiazole
SMILESCc1ccc[nH]1.NC(=O)C(O)c1ccccc1.c1c[se]nn1.c1ccnnc1
InChIInChI=1S/C8H9NO2.C5H7N.C4H4N2.C2H2N2Se/c9-8(11)7(10)6-4-2-1-3-5-6;1-5-3-2-4-6-5;1-2-4-6-5-3-1;1-2-5-4-3-1/h1-5,7,10H,(H2,9,11);2-4,6H,1H3;1-4H;1-2H
InChIKeyCKEHBANAUZVEQX-UHFFFAOYSA-N
MW445.39 g/mol
LogP1.54
Rot. Bonds2

About 2-hydroxy-2-phenylacetamide;2-methyl-1H-pyrrole;pyridazine;selenadiazole

2-hydroxy-2-phenylacetamide;2-methyl-1H-pyrrole;pyridazine;selenadiazole (PubChem CID 175521744) has the molecular formula C19H22N6O2Se and a molecular weight of 445.39 g/mol. Its IUPAC name is 2-hydroxy-2-phenylacetamide;2-methyl-1H-pyrrole;pyridazine;selenadiazole.

Molecular Properties

Compound Name2-hydroxy-2-phenylacetamide;2-methyl-1H-pyrrole;pyridazine;selenadiazole
PubChem CID175521744
Molecular FormulaC19H22N6O2Se
Molecular Weight445.39 g/mol
Exact Mass446.10
IUPAC Name2-hydroxy-2-phenylacetamide;2-methyl-1H-pyrrole;pyridazine;selenadiazole
SMILESCc1ccc[nH]1.NC(=O)C(O)c1ccccc1.c1c[se]nn1.c1ccnnc1
InChIInChI=1S/C8H9NO2.C5H7N.C4H4N2.C2H2N2Se/c9-8(11)7(10)6-4-2-1-3-5-6;1-5-3-2-4-6-5;1-2-4-6-5-3-1;1-2-5-4-3-1/h1-5,7,10H,(H2,9,11);2-4,6H,1H3;1-4H;1-2H
InChIKeyCKEHBANAUZVEQX-UHFFFAOYSA-N
XLogP1.54
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.39
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenylacetamide;2-methyl-1H-pyrrole;pyridazine;selenadiazole?
The IUPAC name of 2-hydroxy-2-phenylacetamide;2-methyl-1H-pyrrole;pyridazine;selenadiazole (CID 175521744) is 2-hydroxy-2-phenylacetamide;2-methyl-1H-pyrrole;pyridazine;selenadiazole.
What is the SMILES notation for 2-hydroxy-2-phenylacetamide;2-methyl-1H-pyrrole;pyridazine;selenadiazole?
The canonical SMILES for 2-hydroxy-2-phenylacetamide;2-methyl-1H-pyrrole;pyridazine;selenadiazole is Cc1ccc[nH]1.NC(=O)C(O)c1ccccc1.c1c[se]nn1.c1ccnnc1.
What is the InChIKey of 2-hydroxy-2-phenylacetamide;2-methyl-1H-pyrrole;pyridazine;selenadiazole?
The InChIKey is CKEHBANAUZVEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C5H7N.C4H4N2.C2H2N2Se/c9-8(11)7(10)6-4-2-1-3-5-6;1-5-3-2-4-6-5;1-2-4-6-5-3-1;1-2-5-4-3-1/h1-5,7,10H,(H2,9,11);2-4,6H,1H3;1-4H;1-2H.
What are the key properties of 2-hydroxy-2-phenylacetamide;2-methyl-1H-pyrrole;pyridazine;selenadiazole?
2-hydroxy-2-phenylacetamide;2-methyl-1H-pyrrole;pyridazine;selenadiazole has a molecular weight of 445.39 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenylacetamide;2-methyl-1H-pyrrole;pyridazine;selenadiazole is sourced from PubChem (CID 175521744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).