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

C14H21BrClN3O3 — CID 153294813

IUPACN-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetohydrazide;hydrochloride
SMILESCC(=O)N(N)C1CCC(Oc2cc(=O)n(C)cc2Br)CC1.Cl
InChIInChI=1S/C14H20BrN3O3.ClH/c1-9(19)18(16)10-3-5-11(6-4-10)21-13-7-14(20)17(2)8-12(13)15;/h7-8,10-11H,3-6,16H2,1-2H3;1H
InChIKeyVXCQEYKENGPPEN-UHFFFAOYSA-N
MW394.70 g/mol
LogP1.98
Rot. Bonds3

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

N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetohydrazide;hydrochloride (PubChem CID 153294813) has the molecular formula C14H21BrClN3O3 and a molecular weight of 394.70 g/mol. Its IUPAC name is N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetohydrazide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetohydrazide;hydrochloride
PubChem CID153294813
Molecular FormulaC14H21BrClN3O3
Molecular Weight394.70 g/mol
Exact Mass393.05
IUPAC NameN-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetohydrazide;hydrochloride
SMILESCC(=O)N(N)C1CCC(Oc2cc(=O)n(C)cc2Br)CC1.Cl
InChIInChI=1S/C14H20BrN3O3.ClH/c1-9(19)18(16)10-3-5-11(6-4-10)21-13-7-14(20)17(2)8-12(13)15;/h7-8,10-11H,3-6,16H2,1-2H3;1H
InChIKeyVXCQEYKENGPPEN-UHFFFAOYSA-N
XLogP1.98
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.70
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexane-1-carboxamide
CID 150502899
N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-N,1-dimethylcyclopropane-1-carboxamide
CID 153294882
N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-2-hydroxyacetamide
CID 153294959
N-[4-[[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]oxy]cyclohexyl]acetohydrazide
CID 153294802
(5S)-3-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]-5-methyl-1,3-oxazolidine-2,4-dione
CID 153294898
N-cyclohexylacetohydrazide
CID 89012430
methyl 2-(5-bromo-1-methyl-2-oxo-4-pyridinyl)acetate
CID 131580081
N-[6-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)amino]spiro[3.3]heptan-2-yl]acetamide
CID 153294812
1-[2-(4-aminocyclohexyl)oxyphenyl]ethanone
CID 117051794
N-[4-(4-aminocyclohexyl)oxy-3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide;hydrochloride
CID 156717650
N-(4-bromo-2-cyclopropyloxy-6-hydroxyphenyl)acetamide
CID 170403612
4-cyclopropyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
CID 135355380

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetohydrazide;hydrochloride?
The IUPAC name of N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetohydrazide;hydrochloride (CID 153294813) is N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetohydrazide;hydrochloride.
What is the SMILES notation for N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetohydrazide;hydrochloride?
The canonical SMILES for N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetohydrazide;hydrochloride is CC(=O)N(N)C1CCC(Oc2cc(=O)n(C)cc2Br)CC1.Cl.
What is the InChIKey of N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetohydrazide;hydrochloride?
The InChIKey is VXCQEYKENGPPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O3.ClH/c1-9(19)18(16)10-3-5-11(6-4-10)21-13-7-14(20)17(2)8-12(13)15;/h7-8,10-11H,3-6,16H2,1-2H3;1H.
What are the key properties of N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetohydrazide;hydrochloride?
N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]acetohydrazide;hydrochloride has a molecular weight of 394.70 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 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]acetohydrazide;hydrochloride is sourced from PubChem (CID 153294813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).