methyl 5-amino-6-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyridine-2-carboxylate

C14H19N3O4 — CID 114407326

IUPACmethyl 5-amino-6-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(N2CCCC3(C2)OCCO3)n1
InChIInChI=1S/C14H19N3O4/c1-19-13(18)11-4-3-10(15)12(16-11)17-6-2-5-14(9-17)20-7-8-21-14/h3-4H,2,5-9,15H2,1H3
InChIKeyWOJIESVWHSKPTR-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.79
Rot. Bonds2

About methyl 5-amino-6-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyridine-2-carboxylate

methyl 5-amino-6-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyridine-2-carboxylate (PubChem CID 114407326) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 5-amino-6-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyridine-2-carboxylate
PubChem CID114407326
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Namemethyl 5-amino-6-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(N2CCCC3(C2)OCCO3)n1
InChIInChI=1S/C14H19N3O4/c1-19-13(18)11-4-3-10(15)12(16-11)17-6-2-5-14(9-17)20-7-8-21-14/h3-4H,2,5-9,15H2,1H3
InChIKeyWOJIESVWHSKPTR-UHFFFAOYSA-N
XLogP0.79
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyridine-2-carboxylate (CID 114407326) is methyl 5-amino-6-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyridine-2-carboxylate is COC(=O)c1ccc(N)c(N2CCCC3(C2)OCCO3)n1.
What is the InChIKey of methyl 5-amino-6-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyridine-2-carboxylate?
The InChIKey is WOJIESVWHSKPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-19-13(18)11-4-3-10(15)12(16-11)17-6-2-5-14(9-17)20-7-8-21-14/h3-4H,2,5-9,15H2,1H3.
What are the key properties of methyl 5-amino-6-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyridine-2-carboxylate?
methyl 5-amino-6-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyridine-2-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyridine-2-carboxylate is sourced from PubChem (CID 114407326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).