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

C17H25BrN2O3 — CID 153294818

IUPACN-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2,2-dimethylpropanamide
SMILESCn1cc(Br)c(OC2CCC(NC(=O)C(C)(C)C)CC2)cc1=O
InChIInChI=1S/C17H25BrN2O3/c1-17(2,3)16(22)19-11-5-7-12(8-6-11)23-14-9-15(21)20(4)10-13(14)18/h9-12H,5-8H2,1-4H3,(H,19,22)
InChIKeyLJGMRLKHTPYBBL-UHFFFAOYSA-N
MW385.30 g/mol
LogP3.00
Rot. Bonds3

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

N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2,2-dimethylpropanamide (PubChem CID 153294818) has the molecular formula C17H25BrN2O3 and a molecular weight of 385.30 g/mol. Its IUPAC name is N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2,2-dimethylpropanamide
PubChem CID153294818
Molecular FormulaC17H25BrN2O3
Molecular Weight385.30 g/mol
Exact Mass384.10
IUPAC NameN-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2,2-dimethylpropanamide
SMILESCn1cc(Br)c(OC2CCC(NC(=O)C(C)(C)C)CC2)cc1=O
InChIInChI=1S/C17H25BrN2O3/c1-17(2,3)16(22)19-11-5-7-12(8-6-11)23-14-9-15(21)20(4)10-13(14)18/h9-12H,5-8H2,1-4H3,(H,19,22)
InChIKeyLJGMRLKHTPYBBL-UHFFFAOYSA-N
XLogP3.00
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2,2-dimethylpropanamide (CID 153294818) is N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2,2-dimethylpropanamide is Cn1cc(Br)c(OC2CCC(NC(=O)C(C)(C)C)CC2)cc1=O.
What is the InChIKey of N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2,2-dimethylpropanamide?
The InChIKey is LJGMRLKHTPYBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O3/c1-17(2,3)16(22)19-11-5-7-12(8-6-11)23-14-9-15(21)20(4)10-13(14)18/h9-12H,5-8H2,1-4H3,(H,19,22).
What are the key properties of N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2,2-dimethylpropanamide?
N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2,2-dimethylpropanamide has a molecular weight of 385.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 153294818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).