tert-butyl 4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate

C18H26N4O5 — CID 67087770

IUPACtert-butyl 4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC(Oc2ccc(NC(=O)C(=O)NN)cn2)CC1
InChIInChI=1S/C18H26N4O5/c1-18(2,3)27-17(25)11-4-7-13(8-5-11)26-14-9-6-12(10-20-14)21-15(23)16(24)22-19/h6,9-11,13H,4-5,7-8,19H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyAAJUTWFXLBBZOP-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.29
Rot. Bonds4

About tert-butyl 4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate

tert-butyl 4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate (PubChem CID 67087770) has the molecular formula C18H26N4O5 and a molecular weight of 378.43 g/mol. Its IUPAC name is tert-butyl 4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate
PubChem CID67087770
Molecular FormulaC18H26N4O5
Molecular Weight378.43 g/mol
Exact Mass378.19
IUPAC Nametert-butyl 4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC(Oc2ccc(NC(=O)C(=O)NN)cn2)CC1
InChIInChI=1S/C18H26N4O5/c1-18(2,3)27-17(25)11-4-7-13(8-5-11)26-14-9-6-12(10-20-14)21-15(23)16(24)22-19/h6,9-11,13H,4-5,7-8,19H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyAAJUTWFXLBBZOP-UHFFFAOYSA-N
XLogP1.29
TPSA132.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.29
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'}

Analyze tert-butyl 4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclopentane-1-carboxylate
CID 67087499
methyl 4-[[5-(2-oxopropanoylamino)-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 143766436
methyl 2-[4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexyl]acetate
CID 67087473
ethyl 4-[[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 66761492
ethyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-2-pyridinyl]oxy]-1-methylcyclohexane-1-carboxylate
CID 58230994
4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 58230961
methyl 4-[[5-[[5-(4-methoxyanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 71031019
tert-butyl cyclopropanecarboxylate
CID 157212632
tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
CID 113014947
tert-butyl 4-[(5-bromo-2-pyridinyl)oxymethyl]cyclohexane-1-carboxylate
CID 143824995
2-phenylethyl 3-[[5-[(2-methoxy-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclobutane-1-carboxylate
CID 58230947
tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)pyrimidin-2-yl]oxycyclohexane-1-carboxylate
CID 170668414

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate?
The IUPAC name of tert-butyl 4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate (CID 67087770) is tert-butyl 4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate is CC(C)(C)OC(=O)C1CCC(Oc2ccc(NC(=O)C(=O)NN)cn2)CC1.
What is the InChIKey of tert-butyl 4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate?
The InChIKey is AAJUTWFXLBBZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5/c1-18(2,3)27-17(25)11-4-7-13(8-5-11)26-14-9-6-12(10-20-14)21-15(23)16(24)22-19/h6,9-11,13H,4-5,7-8,19H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of tert-butyl 4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate?
tert-butyl 4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate is sourced from PubChem (CID 67087770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).