6-[[3-(3-carboxypropoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]selanyl]pyridine-3-carboxylic acid

C24H29NO5Se — CID 22252722

IUPAC6-[[3-(3-carboxypropoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]selanyl]pyridine-3-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2cc([Se]c3ccc(C(=O)O)cn3)c(OCCCC(=O)O)cc21
InChIInChI=1S/C24H29NO5Se/c1-23(2)9-10-24(3,4)17-13-19(31-20-8-7-15(14-25-20)22(28)29)18(12-16(17)23)30-11-5-6-21(26)27/h7-8,12-14H,5-6,9-11H2,1-4H3,(H,26,27)(H,28,29)
InChIKeyUFFKVYCHKZZOFL-UHFFFAOYSA-N
MW490.46 g/mol
LogP3.03
Rot. Bonds8

About 6-[[3-(3-carboxypropoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]selanyl]pyridine-3-carboxylic acid

6-[[3-(3-carboxypropoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]selanyl]pyridine-3-carboxylic acid (PubChem CID 22252722) has the molecular formula C24H29NO5Se and a molecular weight of 490.46 g/mol. Its IUPAC name is 6-[[3-(3-carboxypropoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]selanyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(3-carboxypropoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]selanyl]pyridine-3-carboxylic acid
PubChem CID22252722
Molecular FormulaC24H29NO5Se
Molecular Weight490.46 g/mol
Exact Mass491.12
IUPAC Name6-[[3-(3-carboxypropoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]selanyl]pyridine-3-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2cc([Se]c3ccc(C(=O)O)cn3)c(OCCCC(=O)O)cc21
InChIInChI=1S/C24H29NO5Se/c1-23(2)9-10-24(3,4)17-13-19(31-20-8-7-15(14-25-20)22(28)29)18(12-16(17)23)30-11-5-6-21(26)27/h7-8,12-14H,5-6,9-11H2,1-4H3,(H,26,27)(H,28,29)
InChIKeyUFFKVYCHKZZOFL-UHFFFAOYSA-N
XLogP3.03
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-[[3-(3-carboxypropoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]selanyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(3-carboxypropoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]selanyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-(3-carboxypropoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]selanyl]pyridine-3-carboxylic acid (CID 22252722) is 6-[[3-(3-carboxypropoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]selanyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3-(3-carboxypropoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]selanyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-(3-carboxypropoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]selanyl]pyridine-3-carboxylic acid is CC1(C)CCC(C)(C)c2cc([Se]c3ccc(C(=O)O)cn3)c(OCCCC(=O)O)cc21.
What is the InChIKey of 6-[[3-(3-carboxypropoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]selanyl]pyridine-3-carboxylic acid?
The InChIKey is UFFKVYCHKZZOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO5Se/c1-23(2)9-10-24(3,4)17-13-19(31-20-8-7-15(14-25-20)22(28)29)18(12-16(17)23)30-11-5-6-21(26)27/h7-8,12-14H,5-6,9-11H2,1-4H3,(H,26,27)(H,28,29).
What are the key properties of 6-[[3-(3-carboxypropoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]selanyl]pyridine-3-carboxylic acid?
6-[[3-(3-carboxypropoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]selanyl]pyridine-3-carboxylic acid has a molecular weight of 490.46 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(3-carboxypropoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]selanyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 22252722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).