2-(2,9-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid

C14H19N3O2 — CID 56758776

IUPAC2-(2,9-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCC2(CCCNC2)C1
InChIInChI=1S/C14H19N3O2/c18-13(19)11-3-1-7-16-12(11)17-8-5-14(10-17)4-2-6-15-9-14/h1,3,7,15H,2,4-6,8-10H2,(H,18,19)
InChIKeyRYLKWYKSWGRHGO-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.36
Rot. Bonds2

About 2-(2,9-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid

2-(2,9-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid (PubChem CID 56758776) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(2,9-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,9-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid
PubChem CID56758776
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(2,9-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCC2(CCCNC2)C1
InChIInChI=1S/C14H19N3O2/c18-13(19)11-3-1-7-16-12(11)17-8-5-14(10-17)4-2-6-15-9-14/h1,3,7,15H,2,4-6,8-10H2,(H,18,19)
InChIKeyRYLKWYKSWGRHGO-UHFFFAOYSA-N
XLogP1.36
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,9-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2,9-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid (CID 56758776) is 2-(2,9-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,9-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,9-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1N1CCC2(CCCNC2)C1.
What is the InChIKey of 2-(2,9-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid?
The InChIKey is RYLKWYKSWGRHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-13(19)11-3-1-7-16-12(11)17-8-5-14(10-17)4-2-6-15-9-14/h1,3,7,15H,2,4-6,8-10H2,(H,18,19).
What are the key properties of 2-(2,9-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid?
2-(2,9-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,9-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 56758776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).