methyl 5-[[2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetyl]amino]pyridine-3-carboxylate

C17H20N4O6 — CID 166330481

IUPACmethyl 5-[[2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(NC(=O)C(=O)N2CCC3(CC2)CN(C)C(=O)O3)c1
InChIInChI=1S/C17H20N4O6/c1-20-10-17(27-16(20)25)3-5-21(6-4-17)14(23)13(22)19-12-7-11(8-18-9-12)15(24)26-2/h7-9H,3-6,10H2,1-2H3,(H,19,22)
InChIKeyDZIUQQQMJLZFLM-UHFFFAOYSA-N
MW376.37 g/mol
LogP0.25
Rot. Bonds2

About methyl 5-[[2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetyl]amino]pyridine-3-carboxylate

methyl 5-[[2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetyl]amino]pyridine-3-carboxylate (PubChem CID 166330481) has the molecular formula C17H20N4O6 and a molecular weight of 376.37 g/mol. Its IUPAC name is methyl 5-[[2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetyl]amino]pyridine-3-carboxylate
PubChem CID166330481
Molecular FormulaC17H20N4O6
Molecular Weight376.37 g/mol
Exact Mass376.14
IUPAC Namemethyl 5-[[2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(NC(=O)C(=O)N2CCC3(CC2)CN(C)C(=O)O3)c1
InChIInChI=1S/C17H20N4O6/c1-20-10-17(27-16(20)25)3-5-21(6-4-17)14(23)13(22)19-12-7-11(8-18-9-12)15(24)26-2/h7-9H,3-6,10H2,1-2H3,(H,19,22)
InChIKeyDZIUQQQMJLZFLM-UHFFFAOYSA-N
XLogP0.25
TPSA118.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 5-[[2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetyl]amino]pyridine-3-carboxylate with MolForge

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Related Compounds

[1-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 4070511
Methyl 5-aminopyridine-3-carboxylate
CID 1514432
5-(Boc-amino)nicotinic acid
CID 22266154
Methyl 5-(pyrrolidin-1-yl)pyridine-3-carboxylate
CID 124706431
1'-(pyridine-3-carbonyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
CID 134793069
Tert-butyl 5-aminopyridine-3-carboxylate
CID 57346041
Methyl 5-[(4-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylate
CID 100663237
Ethyl 6-[[8-[(4-amino-2,6-difluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxylate
CID 68212122
Ethyl 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-(trifluoromethyl)pyridine-3-carboxylate
CID 69461854
[2-[4-[4-[5-(Acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate
CID 70342186
[2-[4-[4-[5-(Acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate
CID 70342404
Ethyl 2-({N-[({1-[(tert-butoxy)carbonyl]piperidin-4-yl}carbamoyl)methyl]-2,2,2-trifluoroacetamido}methyl)pyridine-4-carboxylate
CID 90094244

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetyl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[[2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetyl]amino]pyridine-3-carboxylate (CID 166330481) is methyl 5-[[2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[[2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetyl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[[2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetyl]amino]pyridine-3-carboxylate is COC(=O)c1cncc(NC(=O)C(=O)N2CCC3(CC2)CN(C)C(=O)O3)c1.
What is the InChIKey of methyl 5-[[2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetyl]amino]pyridine-3-carboxylate?
The InChIKey is DZIUQQQMJLZFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O6/c1-20-10-17(27-16(20)25)3-5-21(6-4-17)14(23)13(22)19-12-7-11(8-18-9-12)15(24)26-2/h7-9H,3-6,10H2,1-2H3,(H,19,22).
What are the key properties of methyl 5-[[2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetyl]amino]pyridine-3-carboxylate?
methyl 5-[[2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetyl]amino]pyridine-3-carboxylate has a molecular weight of 376.37 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 166330481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).