[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]carbamic acid

C13H17BrN2O4 — CID 146345918

IUPAC[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]carbamic acid
SMILESCn1cc(Br)c(OC2CCC(NC(=O)O)CC2)cc1=O
InChIInChI=1S/C13H17BrN2O4/c1-16-7-10(14)11(6-12(16)17)20-9-4-2-8(3-5-9)15-13(18)19/h6-9,15H,2-5H2,1H3,(H,18,19)
InChIKeyFSIDOUAYAZHEMZ-UHFFFAOYSA-N
MW345.19 g/mol
LogP2.11
Rot. Bonds3

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

[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]carbamic acid (PubChem CID 146345918) has the molecular formula C13H17BrN2O4 and a molecular weight of 345.19 g/mol. Its IUPAC name is [4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]carbamic acid
PubChem CID146345918
Molecular FormulaC13H17BrN2O4
Molecular Weight345.19 g/mol
Exact Mass344.04
IUPAC Name[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]carbamic acid
SMILESCn1cc(Br)c(OC2CCC(NC(=O)O)CC2)cc1=O
InChIInChI=1S/C13H17BrN2O4/c1-16-7-10(14)11(6-12(16)17)20-9-4-2-8(3-5-9)15-13(18)19/h6-9,15H,2-5H2,1H3,(H,18,19)
InChIKeyFSIDOUAYAZHEMZ-UHFFFAOYSA-N
XLogP2.11
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]carbamic acid?
The IUPAC name of [4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]carbamic acid (CID 146345918) is [4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]carbamic acid is Cn1cc(Br)c(OC2CCC(NC(=O)O)CC2)cc1=O.
What is the InChIKey of [4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]carbamic acid?
The InChIKey is FSIDOUAYAZHEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O4/c1-16-7-10(14)11(6-12(16)17)20-9-4-2-8(3-5-9)15-13(18)19/h6-9,15H,2-5H2,1H3,(H,18,19).
What are the key properties of [4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]carbamic acid?
[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]carbamic acid has a molecular weight of 345.19 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 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]cyclohexyl]carbamic acid is sourced from PubChem (CID 146345918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).