5-chloro-6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid

C15H20ClN3O3 — CID 138383282

IUPAC5-chloro-6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid
SMILESCN1CCC2(CC1)CN(c1ncc(C(=O)O)cc1Cl)CCO2
InChIInChI=1S/C15H20ClN3O3/c1-18-4-2-15(3-5-18)10-19(6-7-22-15)13-12(16)8-11(9-17-13)14(20)21/h8-9H,2-7,10H2,1H3,(H,20,21)
InChIKeyNCHPPZAZIWEYRQ-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.73
Rot. Bonds2

About 5-chloro-6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid

5-chloro-6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid (PubChem CID 138383282) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is 5-chloro-6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid
PubChem CID138383282
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name5-chloro-6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid
SMILESCN1CCC2(CC1)CN(c1ncc(C(=O)O)cc1Cl)CCO2
InChIInChI=1S/C15H20ClN3O3/c1-18-4-2-15(3-5-18)10-19(6-7-22-15)13-12(16)8-11(9-17-13)14(20)21/h8-9H,2-7,10H2,1H3,(H,20,21)
InChIKeyNCHPPZAZIWEYRQ-UHFFFAOYSA-N
XLogP1.73
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 43593034
5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 19869906
acetic acid;2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid
CID 154921869
5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridine-3-carboxylic acid
CID 177196396
4-(5-chloro-2-pyridinyl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138382286
5-chloro-6-(3,4-dimethylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 55216040
5-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 43592266
7-(2,5-dichloropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane
CID 172608340
6-(2,2-dimethylmorpholin-4-yl)-5-nitropyridine-3-carboxylic acid
CID 81438643
5-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 62775906
5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 55049889
4,6-dimethyl-2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile
CID 138379468

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid (CID 138383282) is 5-chloro-6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid is CN1CCC2(CC1)CN(c1ncc(C(=O)O)cc1Cl)CCO2.
What is the InChIKey of 5-chloro-6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid?
The InChIKey is NCHPPZAZIWEYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-18-4-2-15(3-5-18)10-19(6-7-22-15)13-12(16)8-11(9-17-13)14(20)21/h8-9H,2-7,10H2,1H3,(H,20,21).
What are the key properties of 5-chloro-6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid?
5-chloro-6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid has a molecular weight of 325.80 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 138383282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).