N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide

C11H18N3O5P — CID 59649391

IUPACN-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide
SMILESCCOP(=O)(OCC)C(O)c1cnc(NC(C)=O)cn1
InChIInChI=1S/C11H18N3O5P/c1-4-18-20(17,19-5-2)11(16)9-6-13-10(7-12-9)14-8(3)15/h6-7,11,16H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyCBYSKXRWLBYMHU-UHFFFAOYSA-N
MW303.26 g/mol
LogP1.69
Rot. Bonds7

About N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide

N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide (PubChem CID 59649391) has the molecular formula C11H18N3O5P and a molecular weight of 303.26 g/mol. Its IUPAC name is N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide
PubChem CID59649391
Molecular FormulaC11H18N3O5P
Molecular Weight303.26 g/mol
Exact Mass303.10
IUPAC NameN-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide
SMILESCCOP(=O)(OCC)C(O)c1cnc(NC(C)=O)cn1
InChIInChI=1S/C11H18N3O5P/c1-4-18-20(17,19-5-2)11(16)9-6-13-10(7-12-9)14-8(3)15/h6-7,11,16H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyCBYSKXRWLBYMHU-UHFFFAOYSA-N
XLogP1.69
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide?
The IUPAC name of N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide (CID 59649391) is N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide.
What is the SMILES notation for N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide?
The canonical SMILES for N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide is CCOP(=O)(OCC)C(O)c1cnc(NC(C)=O)cn1.
What is the InChIKey of N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide?
The InChIKey is CBYSKXRWLBYMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N3O5P/c1-4-18-20(17,19-5-2)11(16)9-6-13-10(7-12-9)14-8(3)15/h6-7,11,16H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide?
N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide has a molecular weight of 303.26 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide is sourced from PubChem (CID 59649391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).