methyl 2-[4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexyl]acetate

C16H22N4O5 — CID 67087473

IUPACmethyl 2-[4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexyl]acetate
SMILESCOC(=O)CC1CCC(Oc2ccc(NC(=O)C(=O)NN)cn2)CC1
InChIInChI=1S/C16H22N4O5/c1-24-14(21)8-10-2-5-12(6-3-10)25-13-7-4-11(9-18-13)19-15(22)16(23)20-17/h4,7,9-10,12H,2-3,5-6,8,17H2,1H3,(H,19,22)(H,20,23)
InChIKeyAEYIGPAVABMYAO-UHFFFAOYSA-N
MW350.38 g/mol
LogP0.51
Rot. Bonds5

About methyl 2-[4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexyl]acetate

methyl 2-[4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexyl]acetate (PubChem CID 67087473) has the molecular formula C16H22N4O5 and a molecular weight of 350.38 g/mol. Its IUPAC name is methyl 2-[4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexyl]acetate
PubChem CID67087473
Molecular FormulaC16H22N4O5
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Namemethyl 2-[4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexyl]acetate
SMILESCOC(=O)CC1CCC(Oc2ccc(NC(=O)C(=O)NN)cn2)CC1
InChIInChI=1S/C16H22N4O5/c1-24-14(21)8-10-2-5-12(6-3-10)25-13-7-4-11(9-18-13)19-15(22)16(23)20-17/h4,7,9-10,12H,2-3,5-6,8,17H2,1H3,(H,19,22)(H,20,23)
InChIKeyAEYIGPAVABMYAO-UHFFFAOYSA-N
XLogP0.51
TPSA132.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexyl]acetate?
The IUPAC name of methyl 2-[4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexyl]acetate (CID 67087473) is methyl 2-[4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexyl]acetate.
What is the SMILES notation for methyl 2-[4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexyl]acetate?
The canonical SMILES for methyl 2-[4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexyl]acetate is COC(=O)CC1CCC(Oc2ccc(NC(=O)C(=O)NN)cn2)CC1.
What is the InChIKey of methyl 2-[4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexyl]acetate?
The InChIKey is AEYIGPAVABMYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O5/c1-24-14(21)8-10-2-5-12(6-3-10)25-13-7-4-11(9-18-13)19-15(22)16(23)20-17/h4,7,9-10,12H,2-3,5-6,8,17H2,1H3,(H,19,22)(H,20,23).
What are the key properties of methyl 2-[4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexyl]acetate?
methyl 2-[4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexyl]acetate has a molecular weight of 350.38 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexyl]acetate is sourced from PubChem (CID 67087473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).