5-amino-6-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carboxylic acid

C16H23N3O2 — CID 81447711

IUPAC5-amino-6-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H23N3O2/c17-13-10-12(15(20)21)11-18-14(13)19-8-6-16(7-9-19)4-2-1-3-5-16/h10-11H,1-9,17H2,(H,20,21)
InChIKeyPRFLCWMGKJIEMO-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.91
Rot. Bonds2

About 5-amino-6-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carboxylic acid

5-amino-6-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carboxylic acid (PubChem CID 81447711) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-amino-6-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carboxylic acid
PubChem CID81447711
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name5-amino-6-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H23N3O2/c17-13-10-12(15(20)21)11-18-14(13)19-8-6-16(7-9-19)4-2-1-3-5-16/h10-11H,1-9,17H2,(H,20,21)
InChIKeyPRFLCWMGKJIEMO-UHFFFAOYSA-N
XLogP2.91
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carboxylic acid (CID 81447711) is 5-amino-6-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carboxylic acid is Nc1cc(C(=O)O)cnc1N1CCC2(CCCCC2)CC1.
What is the InChIKey of 5-amino-6-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carboxylic acid?
The InChIKey is PRFLCWMGKJIEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-13-10-12(15(20)21)11-18-14(13)19-8-6-16(7-9-19)4-2-1-3-5-16/h10-11H,1-9,17H2,(H,20,21).
What are the key properties of 5-amino-6-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carboxylic acid?
5-amino-6-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 81447711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).