methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate

C17H23N3O6 — CID 58231026

IUPACmethyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Oc2ncc(NC(=O)C(=O)CN)cc2OC)CC1
InChIInChI=1S/C17H23N3O6/c1-24-14-7-11(20-15(22)13(21)8-18)9-19-16(14)26-12-5-3-10(4-6-12)17(23)25-2/h7,9-10,12H,3-6,8,18H2,1-2H3,(H,20,22)
InChIKeyCBDNWFOMEISYQH-UHFFFAOYSA-N
MW365.39 g/mol
LogP0.67
Rot. Bonds7

About methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate

methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate (PubChem CID 58231026) has the molecular formula C17H23N3O6 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate
PubChem CID58231026
Molecular FormulaC17H23N3O6
Molecular Weight365.39 g/mol
Exact Mass365.16
IUPAC Namemethyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Oc2ncc(NC(=O)C(=O)CN)cc2OC)CC1
InChIInChI=1S/C17H23N3O6/c1-24-14-7-11(20-15(22)13(21)8-18)9-19-16(14)26-12-5-3-10(4-6-12)17(23)25-2/h7,9-10,12H,3-6,8,18H2,1-2H3,(H,20,22)
InChIKeyCBDNWFOMEISYQH-UHFFFAOYSA-N
XLogP0.67
TPSA129.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate (CID 58231026) is methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate is COC(=O)C1CCC(Oc2ncc(NC(=O)C(=O)CN)cc2OC)CC1.
What is the InChIKey of methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate?
The InChIKey is CBDNWFOMEISYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O6/c1-24-14-7-11(20-15(22)13(21)8-18)9-19-16(14)26-12-5-3-10(4-6-12)17(23)25-2/h7,9-10,12H,3-6,8,18H2,1-2H3,(H,20,22).
What are the key properties of methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate?
methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate has a molecular weight of 365.39 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate is sourced from PubChem (CID 58231026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).