2-(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-3-carboxylic acid

C20H27N3O3 — CID 70761968

IUPAC2-(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCCC2(CCC(=O)N(C3CCCC3)C2)C1
InChIInChI=1S/C20H27N3O3/c24-17-8-10-20(14-23(17)15-5-1-2-6-15)9-4-12-22(13-20)18-16(19(25)26)7-3-11-21-18/h3,7,11,15H,1-2,4-6,8-10,12-14H2,(H,25,26)
InChIKeyXLWRUKAWZFOVGY-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.93
Rot. Bonds3

About 2-(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-3-carboxylic acid

2-(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-3-carboxylic acid (PubChem CID 70761968) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-3-carboxylic acid
PubChem CID70761968
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2-(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCCC2(CCC(=O)N(C3CCCC3)C2)C1
InChIInChI=1S/C20H27N3O3/c24-17-8-10-20(14-23(17)15-5-1-2-6-15)9-4-12-22(13-20)18-16(19(25)26)7-3-11-21-18/h3,7,11,15H,1-2,4-6,8-10,12-14H2,(H,25,26)
InChIKeyXLWRUKAWZFOVGY-UHFFFAOYSA-N
XLogP2.93
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-cyclopentyl-8-[4-(ethylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70715700
2-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid
CID 95228465
2-cyclopentyl-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70771950
2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70724597
2-cyclopentyl-9-(isoquinoline-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72885380
2-[(3S)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 97124499
2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid
CID 61403945
8-(6-chloroquinolin-2-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70711030
2-cyclopropyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70753916
2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43403358
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid
CID 55237033

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-3-carboxylic acid (CID 70761968) is 2-(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1N1CCCC2(CCC(=O)N(C3CCCC3)C2)C1.
What is the InChIKey of 2-(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-3-carboxylic acid?
The InChIKey is XLWRUKAWZFOVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-17-8-10-20(14-23(17)15-5-1-2-6-15)9-4-12-22(13-20)18-16(19(25)26)7-3-11-21-18/h3,7,11,15H,1-2,4-6,8-10,12-14H2,(H,25,26).
What are the key properties of 2-(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-3-carboxylic acid?
2-(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-3-carboxylic acid has a molecular weight of 357.45 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 70761968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).