N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxyacetamide

C14H19BrN2O4 — CID 153294959

IUPACN-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxyacetamide
SMILESCn1cc(Br)c(OC2CCC(NC(=O)CO)CC2)cc1=O
InChIInChI=1S/C14H19BrN2O4/c1-17-7-11(15)12(6-14(17)20)21-10-4-2-9(3-5-10)16-13(19)8-18/h6-7,9-10,18H,2-5,8H2,1H3,(H,16,19)
InChIKeyOYOKVJDRTNVHMW-UHFFFAOYSA-N
MW359.22 g/mol
LogP0.95
Rot. Bonds4

About N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxyacetamide

N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxyacetamide (PubChem CID 153294959) has the molecular formula C14H19BrN2O4 and a molecular weight of 359.22 g/mol. Its IUPAC name is N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxyacetamide
PubChem CID153294959
Molecular FormulaC14H19BrN2O4
Molecular Weight359.22 g/mol
Exact Mass358.05
IUPAC NameN-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxyacetamide
SMILESCn1cc(Br)c(OC2CCC(NC(=O)CO)CC2)cc1=O
InChIInChI=1S/C14H19BrN2O4/c1-17-7-11(15)12(6-14(17)20)21-10-4-2-9(3-5-10)16-13(19)8-18/h6-7,9-10,18H,2-5,8H2,1H3,(H,16,19)
InChIKeyOYOKVJDRTNVHMW-UHFFFAOYSA-N
XLogP0.95
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxyacetamide?
The IUPAC name of N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxyacetamide (CID 153294959) is N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxyacetamide?
The canonical SMILES for N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxyacetamide is Cn1cc(Br)c(OC2CCC(NC(=O)CO)CC2)cc1=O.
What is the InChIKey of N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxyacetamide?
The InChIKey is OYOKVJDRTNVHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O4/c1-17-7-11(15)12(6-14(17)20)21-10-4-2-9(3-5-10)16-13(19)8-18/h6-7,9-10,18H,2-5,8H2,1H3,(H,16,19).
What are the key properties of N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxyacetamide?
N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxyacetamide has a molecular weight of 359.22 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxyacetamide is sourced from PubChem (CID 153294959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).