4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexane-1-carboxamide

C13H17BrN2O3 — CID 150502899

IUPAC4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexane-1-carboxamide
SMILESCn1cc(Br)c(OC2CCC(C(N)=O)CC2)cc1=O
InChIInChI=1S/C13H17BrN2O3/c1-16-7-10(14)11(6-12(16)17)19-9-4-2-8(3-5-9)13(15)18/h6-9H,2-5H2,1H3,(H2,15,18)
InChIKeyHYEMGNVDZARNLC-UHFFFAOYSA-N
MW329.19 g/mol
LogP1.57
Rot. Bonds3

About 4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexane-1-carboxamide

4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexane-1-carboxamide (PubChem CID 150502899) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexane-1-carboxamide
PubChem CID150502899
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexane-1-carboxamide
SMILESCn1cc(Br)c(OC2CCC(C(N)=O)CC2)cc1=O
InChIInChI=1S/C13H17BrN2O3/c1-16-7-10(14)11(6-12(16)17)19-9-4-2-8(3-5-9)13(15)18/h6-9H,2-5H2,1H3,(H2,15,18)
InChIKeyHYEMGNVDZARNLC-UHFFFAOYSA-N
XLogP1.57
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexane-1-carboxamide (CID 150502899) is 4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexane-1-carboxamide is Cn1cc(Br)c(OC2CCC(C(N)=O)CC2)cc1=O.
What is the InChIKey of 4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexane-1-carboxamide?
The InChIKey is HYEMGNVDZARNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-16-7-10(14)11(6-12(16)17)19-9-4-2-8(3-5-9)13(15)18/h6-9H,2-5H2,1H3,(H2,15,18).
What are the key properties of 4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexane-1-carboxamide?
4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexane-1-carboxamide has a molecular weight of 329.19 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexane-1-carboxamide is sourced from PubChem (CID 150502899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).