(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl pyridine-3-carboxylate

C21H32N2O4 — CID 57294482

IUPAC(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl pyridine-3-carboxylate
SMILESCN1C(C)(C)CC2(CC1(C)C)OCC(C)(COC(=O)c1cccnc1)CO2
InChIInChI=1S/C21H32N2O4/c1-18(2)11-21(12-19(3,4)23(18)6)26-14-20(5,15-27-21)13-25-17(24)16-8-7-9-22-10-16/h7-10H,11-15H2,1-6H3
InChIKeyUAZAJRCCTJUKTD-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.27
Rot. Bonds3

About (3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl pyridine-3-carboxylate

(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl pyridine-3-carboxylate (PubChem CID 57294482) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is (3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl pyridine-3-carboxylate.

Molecular Properties

Compound Name(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl pyridine-3-carboxylate
PubChem CID57294482
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl pyridine-3-carboxylate
SMILESCN1C(C)(C)CC2(CC1(C)C)OCC(C)(COC(=O)c1cccnc1)CO2
InChIInChI=1S/C21H32N2O4/c1-18(2)11-21(12-19(3,4)23(18)6)26-14-20(5,15-27-21)13-25-17(24)16-8-7-9-22-10-16/h7-10H,11-15H2,1-6H3
InChIKeyUAZAJRCCTJUKTD-UHFFFAOYSA-N
XLogP3.27
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methyl pyridine-3-carboxylate
CID 5151107
2-oxopropyl pyridine-3-carboxylate
CID 69192363
bis[(11-methyl-9,13-dioxa-21-azatrispiro[5.1.58.1.515.16]henicosan-11-yl)methyl] benzene-1,4-dicarboxylate
CID 145238067
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
2-[3-(acetyloxymethyl)-3,8,8,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]ethyl acetate
CID 57135066
[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
[2-oxo-2-(2-propan-2-ylanilino)ethyl] pyridine-3-carboxylate
CID 1088668
2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride
CID 50944397
(2,2-dimethyl-1,3-dioxol-4-yl)methyl pyridine-3-carboxylate
CID 156769193
(5-methyl-2-sulfanylidene-1,3-dioxan-5-yl)methyl benzoate
CID 86212389
(111C)methyl pyridine-3-carboxylate
CID 11309537
2-oxoethyl pyridine-3-carboxylate
CID 54542225

Frequently Asked Questions

What is the IUPAC name of (3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl pyridine-3-carboxylate?
The IUPAC name of (3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl pyridine-3-carboxylate (CID 57294482) is (3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl pyridine-3-carboxylate.
What is the SMILES notation for (3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl pyridine-3-carboxylate?
The canonical SMILES for (3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl pyridine-3-carboxylate is CN1C(C)(C)CC2(CC1(C)C)OCC(C)(COC(=O)c1cccnc1)CO2.
What is the InChIKey of (3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl pyridine-3-carboxylate?
The InChIKey is UAZAJRCCTJUKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-18(2)11-21(12-19(3,4)23(18)6)26-14-20(5,15-27-21)13-25-17(24)16-8-7-9-22-10-16/h7-10H,11-15H2,1-6H3.
What are the key properties of (3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl pyridine-3-carboxylate?
(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl pyridine-3-carboxylate has a molecular weight of 376.50 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl pyridine-3-carboxylate is sourced from PubChem (CID 57294482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).