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

C15H21BrN2O4 — CID 153294792

IUPACN-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NC1CCC(Oc2cc(=O)n(C)cc2Br)CC1
InChIInChI=1S/C15H21BrN2O4/c1-9(19)15(21)17-10-3-5-11(6-4-10)22-13-7-14(20)18(2)8-12(13)16/h7-11,19H,3-6H2,1-2H3,(H,17,21)
InChIKeyXXGJJSXJDXDSKP-UHFFFAOYSA-N
MW373.25 g/mol
LogP1.33
Rot. Bonds4

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

N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxypropanamide (PubChem CID 153294792) has the molecular formula C15H21BrN2O4 and a molecular weight of 373.25 g/mol. Its IUPAC name is N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxypropanamide
PubChem CID153294792
Molecular FormulaC15H21BrN2O4
Molecular Weight373.25 g/mol
Exact Mass372.07
IUPAC NameN-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NC1CCC(Oc2cc(=O)n(C)cc2Br)CC1
InChIInChI=1S/C15H21BrN2O4/c1-9(19)15(21)17-10-3-5-11(6-4-10)22-13-7-14(20)18(2)8-12(13)16/h7-11,19H,3-6H2,1-2H3,(H,17,21)
InChIKeyXXGJJSXJDXDSKP-UHFFFAOYSA-N
XLogP1.33
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 51.33
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-hydroxypropanamide?
The IUPAC name of N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxypropanamide (CID 153294792) is N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxypropanamide.
What is the SMILES notation for N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxypropanamide?
The canonical SMILES for N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxypropanamide is CC(O)C(=O)NC1CCC(Oc2cc(=O)n(C)cc2Br)CC1.
What is the InChIKey of N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxypropanamide?
The InChIKey is XXGJJSXJDXDSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O4/c1-9(19)15(21)17-10-3-5-11(6-4-10)22-13-7-14(20)18(2)8-12(13)16/h7-11,19H,3-6H2,1-2H3,(H,17,21).
What are the key properties of N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxypropanamide?
N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxypropanamide has a molecular weight of 373.25 g/mol, XLogP of 1.33, 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-hydroxypropanamide is sourced from PubChem (CID 153294792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).