N-[6-(2,6-dichloropurin-9-yl)-3-pyridinyl]-N-hydroxyacetamide

C12H8Cl2N6O2 — CID 121278982

IUPACN-[6-(2,6-dichloropurin-9-yl)-3-pyridinyl]-N-hydroxyacetamide
SMILESCC(=O)N(O)c1ccc(-n2cnc3c(Cl)nc(Cl)nc32)nc1
InChIInChI=1S/C12H8Cl2N6O2/c1-6(21)20(22)7-2-3-8(15-4-7)19-5-16-9-10(13)17-12(14)18-11(9)19/h2-5,22H,1H3
InChIKeyUDGZPQNGWKGSPL-UHFFFAOYSA-N
MW339.14 g/mol
LogP2.26
Rot. Bonds2

About N-[6-(2,6-dichloropurin-9-yl)-3-pyridinyl]-N-hydroxyacetamide

N-[6-(2,6-dichloropurin-9-yl)-3-pyridinyl]-N-hydroxyacetamide (PubChem CID 121278982) has the molecular formula C12H8Cl2N6O2 and a molecular weight of 339.14 g/mol. Its IUPAC name is N-[6-(2,6-dichloropurin-9-yl)-3-pyridinyl]-N-hydroxyacetamide.

Molecular Properties

Compound NameN-[6-(2,6-dichloropurin-9-yl)-3-pyridinyl]-N-hydroxyacetamide
PubChem CID121278982
Molecular FormulaC12H8Cl2N6O2
Molecular Weight339.14 g/mol
Exact Mass338.01
IUPAC NameN-[6-(2,6-dichloropurin-9-yl)-3-pyridinyl]-N-hydroxyacetamide
SMILESCC(=O)N(O)c1ccc(-n2cnc3c(Cl)nc(Cl)nc32)nc1
InChIInChI=1S/C12H8Cl2N6O2/c1-6(21)20(22)7-2-3-8(15-4-7)19-5-16-9-10(13)17-12(14)18-11(9)19/h2-5,22H,1H3
InChIKeyUDGZPQNGWKGSPL-UHFFFAOYSA-N
XLogP2.26
TPSA97.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.14
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-[6-(2,6-dichloropurin-9-yl)-3-pyridinyl]-N-hydroxyacetamide?
The IUPAC name of N-[6-(2,6-dichloropurin-9-yl)-3-pyridinyl]-N-hydroxyacetamide (CID 121278982) is N-[6-(2,6-dichloropurin-9-yl)-3-pyridinyl]-N-hydroxyacetamide.
What is the SMILES notation for N-[6-(2,6-dichloropurin-9-yl)-3-pyridinyl]-N-hydroxyacetamide?
The canonical SMILES for N-[6-(2,6-dichloropurin-9-yl)-3-pyridinyl]-N-hydroxyacetamide is CC(=O)N(O)c1ccc(-n2cnc3c(Cl)nc(Cl)nc32)nc1.
What is the InChIKey of N-[6-(2,6-dichloropurin-9-yl)-3-pyridinyl]-N-hydroxyacetamide?
The InChIKey is UDGZPQNGWKGSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N6O2/c1-6(21)20(22)7-2-3-8(15-4-7)19-5-16-9-10(13)17-12(14)18-11(9)19/h2-5,22H,1H3.
What are the key properties of N-[6-(2,6-dichloropurin-9-yl)-3-pyridinyl]-N-hydroxyacetamide?
N-[6-(2,6-dichloropurin-9-yl)-3-pyridinyl]-N-hydroxyacetamide has a molecular weight of 339.14 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dichloropurin-9-yl)-3-pyridinyl]-N-hydroxyacetamide is sourced from PubChem (CID 121278982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).