1-pyridin-3-yl-1,7-diazaspiro[4.4]nonane-7-carboxylic acid

C13H17N3O2 — CID 67074597

IUPAC1-pyridin-3-yl-1,7-diazaspiro[4.4]nonane-7-carboxylic acid
SMILESO=C(O)N1CCC2(CCCN2c2cccnc2)C1
InChIInChI=1S/C13H17N3O2/c17-12(18)15-8-5-13(10-15)4-2-7-16(13)11-3-1-6-14-9-11/h1,3,6,9H,2,4-5,7-8,10H2,(H,17,18)
InChIKeyRGMKHOAYAPOONN-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.80
Rot. Bonds1

About 1-pyridin-3-yl-1,7-diazaspiro[4.4]nonane-7-carboxylic acid

1-pyridin-3-yl-1,7-diazaspiro[4.4]nonane-7-carboxylic acid (PubChem CID 67074597) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-pyridin-3-yl-1,7-diazaspiro[4.4]nonane-7-carboxylic acid.

Molecular Properties

Compound Name1-pyridin-3-yl-1,7-diazaspiro[4.4]nonane-7-carboxylic acid
PubChem CID67074597
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-pyridin-3-yl-1,7-diazaspiro[4.4]nonane-7-carboxylic acid
SMILESO=C(O)N1CCC2(CCCN2c2cccnc2)C1
InChIInChI=1S/C13H17N3O2/c17-12(18)15-8-5-13(10-15)4-2-7-16(13)11-3-1-6-14-9-11/h1,3,6,9H,2,4-5,7-8,10H2,(H,17,18)
InChIKeyRGMKHOAYAPOONN-UHFFFAOYSA-N
XLogP1.80
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylpropanoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 155875816
4-amino-4-(pyridin-3-ylmethyl)piperidine-1-carboxylic acid
CID 166652941
6-methyl-2-(pyridine-4-carbonyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 134070557
9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 66755240
phenyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97493644
bis(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone
CID 172702037
2-(4-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131641884
1-pyridin-3-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid
CID 22646976
(5R)-9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97490320
[(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone
CID 95043573
6-methyl-2-(5-methylpyrazine-2-carbonyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131658532
1-pyridin-3-yl-7-(pyridin-2-ylmethyl)-1,7-diazaspiro[3.5]nonane
CID 134073217

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-1,7-diazaspiro[4.4]nonane-7-carboxylic acid?
The IUPAC name of 1-pyridin-3-yl-1,7-diazaspiro[4.4]nonane-7-carboxylic acid (CID 67074597) is 1-pyridin-3-yl-1,7-diazaspiro[4.4]nonane-7-carboxylic acid.
What is the SMILES notation for 1-pyridin-3-yl-1,7-diazaspiro[4.4]nonane-7-carboxylic acid?
The canonical SMILES for 1-pyridin-3-yl-1,7-diazaspiro[4.4]nonane-7-carboxylic acid is O=C(O)N1CCC2(CCCN2c2cccnc2)C1.
What is the InChIKey of 1-pyridin-3-yl-1,7-diazaspiro[4.4]nonane-7-carboxylic acid?
The InChIKey is RGMKHOAYAPOONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-12(18)15-8-5-13(10-15)4-2-7-16(13)11-3-1-6-14-9-11/h1,3,6,9H,2,4-5,7-8,10H2,(H,17,18).
What are the key properties of 1-pyridin-3-yl-1,7-diazaspiro[4.4]nonane-7-carboxylic acid?
1-pyridin-3-yl-1,7-diazaspiro[4.4]nonane-7-carboxylic acid has a molecular weight of 247.30 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-1,7-diazaspiro[4.4]nonane-7-carboxylic acid is sourced from PubChem (CID 67074597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).