3-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carboxylic acid

C15H19N3O3 — CID 175867076

IUPAC3-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carboxylic acid
SMILESCN1CCC2(CCN(c3cccnc3C(=O)O)CC2)C1=O
InChIInChI=1S/C15H19N3O3/c1-17-8-4-15(14(17)21)5-9-18(10-6-15)11-3-2-7-16-12(11)13(19)20/h2-3,7H,4-6,8-10H2,1H3,(H,19,20)
InChIKeyDEQFMGMXYALOOP-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.23
Rot. Bonds2

About 3-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carboxylic acid

3-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carboxylic acid (PubChem CID 175867076) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carboxylic acid
PubChem CID175867076
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carboxylic acid
SMILESCN1CCC2(CCN(c3cccnc3C(=O)O)CC2)C1=O
InChIInChI=1S/C15H19N3O3/c1-17-8-4-15(14(17)21)5-9-18(10-6-15)11-3-2-7-16-12(11)13(19)20/h2-3,7H,4-6,8-10H2,1H3,(H,19,20)
InChIKeyDEQFMGMXYALOOP-UHFFFAOYSA-N
XLogP1.23
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carboxylic acid (CID 175867076) is 3-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carboxylic acid is CN1CCC2(CCN(c3cccnc3C(=O)O)CC2)C1=O.
What is the InChIKey of 3-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carboxylic acid?
The InChIKey is DEQFMGMXYALOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-17-8-4-15(14(17)21)5-9-18(10-6-15)11-3-2-7-16-12(11)13(19)20/h2-3,7H,4-6,8-10H2,1H3,(H,19,20).
What are the key properties of 3-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carboxylic acid?
3-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 175867076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).