2-(7-azaspiro[3.5]nonan-7-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2-(6-azaspiro[2.5]octan-6-yl)-6-(5-oxo-6-oxa-4-azaspiro[2.4]heptan-4-yl)pyridine-3-carboxylic acid;ethane

C39H52N6O8 — CID 155781216

IUPAC2-(7-azaspiro[3.5]nonan-7-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2-(6-azaspiro[2.5]octan-6-yl)-6-(5-oxo-6-oxa-4-azaspiro[2.4]heptan-4-yl)pyridine-3-carboxylic acid;ethane
SMILESCC.CC1(C)COC(=O)N1c1ccc(C(=O)O)c(N2CCC3(CCC3)CC2)n1.O=C(O)c1ccc(N2C(=O)OCC23CC3)nc1N1CCC2(CC1)CC2
InChIInChI=1S/C19H25N3O4.C18H21N3O4.C2H6/c1-18(2)12-26-17(25)22(18)14-5-4-13(16(23)24)15(20-14)21-10-8-19(9-11-21)6-3-7-19;22-15(23)12-1-2-13(21-16(24)25-11-18(21)5-6-18)19-14(12)20-9-7-17(3-4-17)8-10-20;1-2/h4-5H,3,6-12H2,1-2H3,(H,23,24);1-2H,3-11H2,(H,22,23);1-2H3
InChIKeyRZVWYAZYLQGVQK-UHFFFAOYSA-N
MW732.88 g/mol
LogP6.96
Rot. Bonds6

About 2-(7-azaspiro[3.5]nonan-7-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2-(6-azaspiro[2.5]octan-6-yl)-6-(5-oxo-6-oxa-4-azaspiro[2.4]heptan-4-yl)pyridine-3-carboxylic acid;ethane

2-(7-azaspiro[3.5]nonan-7-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2-(6-azaspiro[2.5]octan-6-yl)-6-(5-oxo-6-oxa-4-azaspiro[2.4]heptan-4-yl)pyridine-3-carboxylic acid;ethane (PubChem CID 155781216) has the molecular formula C39H52N6O8 and a molecular weight of 732.88 g/mol. Its IUPAC name is 2-(7-azaspiro[3.5]nonan-7-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2-(6-azaspiro[2.5]octan-6-yl)-6-(5-oxo-6-oxa-4-azaspiro[2.4]heptan-4-yl)pyridine-3-carboxylic acid;ethane.

Molecular Properties

Compound Name2-(7-azaspiro[3.5]nonan-7-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2-(6-azaspiro[2.5]octan-6-yl)-6-(5-oxo-6-oxa-4-azaspiro[2.4]heptan-4-yl)pyridine-3-carboxylic acid;ethane
PubChem CID155781216
Molecular FormulaC39H52N6O8
Molecular Weight732.88 g/mol
Exact Mass732.38
IUPAC Name2-(7-azaspiro[3.5]nonan-7-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2-(6-azaspiro[2.5]octan-6-yl)-6-(5-oxo-6-oxa-4-azaspiro[2.4]heptan-4-yl)pyridine-3-carboxylic acid;ethane
SMILESCC.CC1(C)COC(=O)N1c1ccc(C(=O)O)c(N2CCC3(CCC3)CC2)n1.O=C(O)c1ccc(N2C(=O)OCC23CC3)nc1N1CCC2(CC1)CC2
InChIInChI=1S/C19H25N3O4.C18H21N3O4.C2H6/c1-18(2)12-26-17(25)22(18)14-5-4-13(16(23)24)15(20-14)21-10-8-19(9-11-21)6-3-7-19;22-15(23)12-1-2-13(21-16(24)25-11-18(21)5-6-18)19-14(12)20-9-7-17(3-4-17)8-10-20;1-2/h4-5H,3,6-12H2,1-2H3,(H,23,24);1-2H,3-11H2,(H,22,23);1-2H3
InChIKeyRZVWYAZYLQGVQK-UHFFFAOYSA-N
XLogP6.96
TPSA165.94 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.88
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-(7-azaspiro[3.5]nonan-7-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2-(6-azaspiro[2.5]octan-6-yl)-6-(5-oxo-6-oxa-4-azaspiro[2.4]heptan-4-yl)pyridine-3-carboxylic acid;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(7-azaspiro[3.5]nonan-7-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2-(6-azaspiro[2.5]octan-6-yl)-6-(5-oxo-6-oxa-4-azaspiro[2.4]heptan-4-yl)pyridine-3-carboxylic acid;ethane?
The IUPAC name of 2-(7-azaspiro[3.5]nonan-7-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2-(6-azaspiro[2.5]octan-6-yl)-6-(5-oxo-6-oxa-4-azaspiro[2.4]heptan-4-yl)pyridine-3-carboxylic acid;ethane (CID 155781216) is 2-(7-azaspiro[3.5]nonan-7-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2-(6-azaspiro[2.5]octan-6-yl)-6-(5-oxo-6-oxa-4-azaspiro[2.4]heptan-4-yl)pyridine-3-carboxylic acid;ethane.
What is the SMILES notation for 2-(7-azaspiro[3.5]nonan-7-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2-(6-azaspiro[2.5]octan-6-yl)-6-(5-oxo-6-oxa-4-azaspiro[2.4]heptan-4-yl)pyridine-3-carboxylic acid;ethane?
The canonical SMILES for 2-(7-azaspiro[3.5]nonan-7-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2-(6-azaspiro[2.5]octan-6-yl)-6-(5-oxo-6-oxa-4-azaspiro[2.4]heptan-4-yl)pyridine-3-carboxylic acid;ethane is CC.CC1(C)COC(=O)N1c1ccc(C(=O)O)c(N2CCC3(CCC3)CC2)n1.O=C(O)c1ccc(N2C(=O)OCC23CC3)nc1N1CCC2(CC1)CC2.
What is the InChIKey of 2-(7-azaspiro[3.5]nonan-7-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2-(6-azaspiro[2.5]octan-6-yl)-6-(5-oxo-6-oxa-4-azaspiro[2.4]heptan-4-yl)pyridine-3-carboxylic acid;ethane?
The InChIKey is RZVWYAZYLQGVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4.C18H21N3O4.C2H6/c1-18(2)12-26-17(25)22(18)14-5-4-13(16(23)24)15(20-14)21-10-8-19(9-11-21)6-3-7-19;22-15(23)12-1-2-13(21-16(24)25-11-18(21)5-6-18)19-14(12)20-9-7-17(3-4-17)8-10-20;1-2/h4-5H,3,6-12H2,1-2H3,(H,23,24);1-2H,3-11H2,(H,22,23);1-2H3.
What are the key properties of 2-(7-azaspiro[3.5]nonan-7-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2-(6-azaspiro[2.5]octan-6-yl)-6-(5-oxo-6-oxa-4-azaspiro[2.4]heptan-4-yl)pyridine-3-carboxylic acid;ethane?
2-(7-azaspiro[3.5]nonan-7-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2-(6-azaspiro[2.5]octan-6-yl)-6-(5-oxo-6-oxa-4-azaspiro[2.4]heptan-4-yl)pyridine-3-carboxylic acid;ethane has a molecular weight of 732.88 g/mol, XLogP of 6.96, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-azaspiro[3.5]nonan-7-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2-(6-azaspiro[2.5]octan-6-yl)-6-(5-oxo-6-oxa-4-azaspiro[2.4]heptan-4-yl)pyridine-3-carboxylic acid;ethane is sourced from PubChem (CID 155781216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).