N-(5-bromo-3-methoxy-2-pyridinyl)-2-[dimethylamino(methyl)phosphoryl]oxyacetamide

C11H17BrN3O4P — CID 21493327

IUPACN-(5-bromo-3-methoxy-2-pyridinyl)-2-[dimethylamino(methyl)phosphoryl]oxyacetamide
SMILESCOc1cc(Br)cnc1NC(=O)COP(C)(=O)N(C)C
InChIInChI=1S/C11H17BrN3O4P/c1-15(2)20(4,17)19-7-10(16)14-11-9(18-3)5-8(12)6-13-11/h5-6H,7H2,1-4H3,(H,13,14,16)
InChIKeyYPQDIWDYBREFIG-UHFFFAOYSA-N
MW366.15 g/mol
LogP2.19
Rot. Bonds6

About N-(5-bromo-3-methoxy-2-pyridinyl)-2-[dimethylamino(methyl)phosphoryl]oxyacetamide

N-(5-bromo-3-methoxy-2-pyridinyl)-2-[dimethylamino(methyl)phosphoryl]oxyacetamide (PubChem CID 21493327) has the molecular formula C11H17BrN3O4P and a molecular weight of 366.15 g/mol. Its IUPAC name is N-(5-bromo-3-methoxy-2-pyridinyl)-2-[dimethylamino(methyl)phosphoryl]oxyacetamide.

Molecular Properties

Compound NameN-(5-bromo-3-methoxy-2-pyridinyl)-2-[dimethylamino(methyl)phosphoryl]oxyacetamide
PubChem CID21493327
Molecular FormulaC11H17BrN3O4P
Molecular Weight366.15 g/mol
Exact Mass365.01
IUPAC NameN-(5-bromo-3-methoxy-2-pyridinyl)-2-[dimethylamino(methyl)phosphoryl]oxyacetamide
SMILESCOc1cc(Br)cnc1NC(=O)COP(C)(=O)N(C)C
InChIInChI=1S/C11H17BrN3O4P/c1-15(2)20(4,17)19-7-10(16)14-11-9(18-3)5-8(12)6-13-11/h5-6H,7H2,1-4H3,(H,13,14,16)
InChIKeyYPQDIWDYBREFIG-UHFFFAOYSA-N
XLogP2.19
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.15
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-bromo-3-methoxy-2-pyridinyl)-2-[dimethylamino(methyl)phosphoryl]oxyacetamide?
The IUPAC name of N-(5-bromo-3-methoxy-2-pyridinyl)-2-[dimethylamino(methyl)phosphoryl]oxyacetamide (CID 21493327) is N-(5-bromo-3-methoxy-2-pyridinyl)-2-[dimethylamino(methyl)phosphoryl]oxyacetamide.
What is the SMILES notation for N-(5-bromo-3-methoxy-2-pyridinyl)-2-[dimethylamino(methyl)phosphoryl]oxyacetamide?
The canonical SMILES for N-(5-bromo-3-methoxy-2-pyridinyl)-2-[dimethylamino(methyl)phosphoryl]oxyacetamide is COc1cc(Br)cnc1NC(=O)COP(C)(=O)N(C)C.
What is the InChIKey of N-(5-bromo-3-methoxy-2-pyridinyl)-2-[dimethylamino(methyl)phosphoryl]oxyacetamide?
The InChIKey is YPQDIWDYBREFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN3O4P/c1-15(2)20(4,17)19-7-10(16)14-11-9(18-3)5-8(12)6-13-11/h5-6H,7H2,1-4H3,(H,13,14,16).
What are the key properties of N-(5-bromo-3-methoxy-2-pyridinyl)-2-[dimethylamino(methyl)phosphoryl]oxyacetamide?
N-(5-bromo-3-methoxy-2-pyridinyl)-2-[dimethylamino(methyl)phosphoryl]oxyacetamide has a molecular weight of 366.15 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methoxy-2-pyridinyl)-2-[dimethylamino(methyl)phosphoryl]oxyacetamide is sourced from PubChem (CID 21493327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).