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

C18H27BrN2O4 — CID 153294815

IUPACN-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-4-hydroxy-2,2-dimethylbutanamide
SMILESCn1cc(Br)c(OC2CCC(NC(=O)C(C)(C)CCO)CC2)cc1=O
InChIInChI=1S/C18H27BrN2O4/c1-18(2,8-9-22)17(24)20-12-4-6-13(7-5-12)25-15-10-16(23)21(3)11-14(15)19/h10-13,22H,4-9H2,1-3H3,(H,20,24)
InChIKeyFFDNBCAHZXJGCW-UHFFFAOYSA-N
MW415.33 g/mol
LogP2.36
Rot. Bonds6

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

N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-4-hydroxy-2,2-dimethylbutanamide (PubChem CID 153294815) has the molecular formula C18H27BrN2O4 and a molecular weight of 415.33 g/mol. Its IUPAC name is N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-4-hydroxy-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-4-hydroxy-2,2-dimethylbutanamide
PubChem CID153294815
Molecular FormulaC18H27BrN2O4
Molecular Weight415.33 g/mol
Exact Mass414.12
IUPAC NameN-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-4-hydroxy-2,2-dimethylbutanamide
SMILESCn1cc(Br)c(OC2CCC(NC(=O)C(C)(C)CCO)CC2)cc1=O
InChIInChI=1S/C18H27BrN2O4/c1-18(2,8-9-22)17(24)20-12-4-6-13(7-5-12)25-15-10-16(23)21(3)11-14(15)19/h10-13,22H,4-9H2,1-3H3,(H,20,24)
InChIKeyFFDNBCAHZXJGCW-UHFFFAOYSA-N
XLogP2.36
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-4-hydroxy-2,2-dimethylbutanamide 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 N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-4-hydroxy-2,2-dimethylbutanamide?
The IUPAC name of N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-4-hydroxy-2,2-dimethylbutanamide (CID 153294815) is N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-4-hydroxy-2,2-dimethylbutanamide.
What is the SMILES notation for N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-4-hydroxy-2,2-dimethylbutanamide?
The canonical SMILES for N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-4-hydroxy-2,2-dimethylbutanamide is Cn1cc(Br)c(OC2CCC(NC(=O)C(C)(C)CCO)CC2)cc1=O.
What is the InChIKey of N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-4-hydroxy-2,2-dimethylbutanamide?
The InChIKey is FFDNBCAHZXJGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O4/c1-18(2,8-9-22)17(24)20-12-4-6-13(7-5-12)25-15-10-16(23)21(3)11-14(15)19/h10-13,22H,4-9H2,1-3H3,(H,20,24).
What are the key properties of N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-4-hydroxy-2,2-dimethylbutanamide?
N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-4-hydroxy-2,2-dimethylbutanamide has a molecular weight of 415.33 g/mol, XLogP of 2.36, 6 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]-4-hydroxy-2,2-dimethylbutanamide is sourced from PubChem (CID 153294815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).