methyl 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate

C16H20N2O4 — CID 118418684

IUPACmethyl 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N2CC3(COC3)C2)c(OCC2CC2)n1
InChIInChI=1S/C16H20N2O4/c1-20-15(19)12-4-5-13(14(17-12)22-6-11-2-3-11)18-7-16(8-18)9-21-10-16/h4-5,11H,2-3,6-10H2,1H3
InChIKeyWQDWOIRXOXULNK-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.49
Rot. Bonds5

About methyl 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate

methyl 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate (PubChem CID 118418684) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is methyl 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate
PubChem CID118418684
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Namemethyl 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N2CC3(COC3)C2)c(OCC2CC2)n1
InChIInChI=1S/C16H20N2O4/c1-20-15(19)12-4-5-13(14(17-12)22-6-11-2-3-11)18-7-16(8-18)9-21-10-16/h4-5,11H,2-3,6-10H2,1H3
InChIKeyWQDWOIRXOXULNK-UHFFFAOYSA-N
XLogP1.49
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate (CID 118418684) is methyl 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate is COC(=O)c1ccc(N2CC3(COC3)C2)c(OCC2CC2)n1.
What is the InChIKey of methyl 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate?
The InChIKey is WQDWOIRXOXULNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-20-15(19)12-4-5-13(14(17-12)22-6-11-2-3-11)18-7-16(8-18)9-21-10-16/h4-5,11H,2-3,6-10H2,1H3.
What are the key properties of methyl 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate?
methyl 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate is sourced from PubChem (CID 118418684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).