methyl 3-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclopentane-1-carboxylate

C14H18N4O5 — CID 67087499

IUPACmethyl 3-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(Oc2ccc(NC(=O)C(=O)NN)cn2)C1
InChIInChI=1S/C14H18N4O5/c1-22-14(21)8-2-4-10(6-8)23-11-5-3-9(7-16-11)17-12(19)13(20)18-15/h3,5,7-8,10H,2,4,6,15H2,1H3,(H,17,19)(H,18,20)
InChIKeyFAFDODMUBMYMCZ-UHFFFAOYSA-N
MW322.32 g/mol
LogP-0.27
Rot. Bonds4

About methyl 3-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclopentane-1-carboxylate

methyl 3-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclopentane-1-carboxylate (PubChem CID 67087499) has the molecular formula C14H18N4O5 and a molecular weight of 322.32 g/mol. Its IUPAC name is methyl 3-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclopentane-1-carboxylate
PubChem CID67087499
Molecular FormulaC14H18N4O5
Molecular Weight322.32 g/mol
Exact Mass322.13
IUPAC Namemethyl 3-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(Oc2ccc(NC(=O)C(=O)NN)cn2)C1
InChIInChI=1S/C14H18N4O5/c1-22-14(21)8-2-4-10(6-8)23-11-5-3-9(7-16-11)17-12(19)13(20)18-15/h3,5,7-8,10H,2,4,6,15H2,1H3,(H,17,19)(H,18,20)
InChIKeyFAFDODMUBMYMCZ-UHFFFAOYSA-N
XLogP-0.27
TPSA132.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 5-0.27
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 methyl 3-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclopentane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 67087770
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
2-phenylethyl 3-[[5-[(2-methoxy-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclobutane-1-carboxylate
CID 58230947
trans-methyl (1S,3S)-3-[(4-methyl-2-pyridinyl)oxy]cyclopentane-1-carboxylate
CID 178139036
ethyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-2-pyridinyl]oxy]-1-methylcyclohexane-1-carboxylate
CID 58230994
methyl 4-[[5-[[5-(4-methoxyanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 71031019
methyl 4-[(5-amino-6-methyl-2-pyridinyl)oxy]cyclohexane-1-carboxylate
CID 58230935
methyl 4-[[5-[[5-(4-chloro-2-methoxyanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 67087595
methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 58231026
4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 58230961
2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 3780869

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclopentane-1-carboxylate (CID 67087499) is methyl 3-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclopentane-1-carboxylate is COC(=O)C1CCC(Oc2ccc(NC(=O)C(=O)NN)cn2)C1.
What is the InChIKey of methyl 3-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclopentane-1-carboxylate?
The InChIKey is FAFDODMUBMYMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O5/c1-22-14(21)8-2-4-10(6-8)23-11-5-3-9(7-16-11)17-12(19)13(20)18-15/h3,5,7-8,10H,2,4,6,15H2,1H3,(H,17,19)(H,18,20).
What are the key properties of methyl 3-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclopentane-1-carboxylate?
methyl 3-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclopentane-1-carboxylate has a molecular weight of 322.32 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclopentane-1-carboxylate is sourced from PubChem (CID 67087499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).