5-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid

C52H66N2O8 — CID 157296218

IUPAC5-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid
SMILESCCCCCc1cc2c(cc1C(=O)Oc1ccc(C(=O)O)cn1)C(C)(C)CCC2(C)C.CCCCCc1cc2c(cc1C(=O)Oc1ccc(C(=O)O)nc1)C(C)(C)CCC2(C)C
InChIInChI=1S/2C26H33NO4/c1-6-7-8-9-17-14-20-21(26(4,5)13-12-25(20,2)3)15-19(17)24(30)31-18-10-11-22(23(28)29)27-16-18;1-6-7-8-9-17-14-20-21(26(4,5)13-12-25(20,2)3)15-19(17)24(30)31-22-11-10-18(16-27-22)23(28)29/h2*10-11,14-16H,6-9,12-13H2,1-5H3,(H,28,29)
InChIKeyBBJKHYJSGIZNNR-UHFFFAOYSA-N
MW847.11 g/mol
LogP12.16
Rot. Bonds14

About 5-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid

5-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid (PubChem CID 157296218) has the molecular formula C52H66N2O8 and a molecular weight of 847.11 g/mol. Its IUPAC name is 5-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid
PubChem CID157296218
Molecular FormulaC52H66N2O8
Molecular Weight847.11 g/mol
Exact Mass846.48
IUPAC Name5-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid
SMILESCCCCCc1cc2c(cc1C(=O)Oc1ccc(C(=O)O)cn1)C(C)(C)CCC2(C)C.CCCCCc1cc2c(cc1C(=O)Oc1ccc(C(=O)O)nc1)C(C)(C)CCC2(C)C
InChIInChI=1S/2C26H33NO4/c1-6-7-8-9-17-14-20-21(26(4,5)13-12-25(20,2)3)15-19(17)24(30)31-18-10-11-22(23(28)29)27-16-18;1-6-7-8-9-17-14-20-21(26(4,5)13-12-25(20,2)3)15-19(17)24(30)31-22-11-10-18(16-27-22)23(28)29/h2*10-11,14-16H,6-9,12-13H2,1-5H3,(H,28,29)
InChIKeyBBJKHYJSGIZNNR-UHFFFAOYSA-N
XLogP12.16
TPSA152.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.11
LogP ≤ 512.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid with MolForge

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Related Compounds

2-Methyl-2-[4-[4-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]-2-pyridinyl]propanoic acid
CID 146553081
2-[3-[5-Methoxy-6-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]pyridin-3-yl]phenyl]-2-methylpropanoic acid
CID 146553405
Methyl 2-[3-[5-methoxy-6-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]pyridin-3-yl]phenyl]-2-methylpropanoate
CID 146553531
5-[4-(4-Fluoro-3-methylphenyl)-7-hydroxy-3-propan-2-ylisoquinolin-1-yl]oxypyridine-2-carboxylic acid
CID 156880282
2-(2-Acetyloxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;butyl 4-tert-butyl-3-methylbenzoate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-2-carboxylate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-3-carboxylate;2-(4,4-difluoropiperidin-1-yl)ethyl 4-tert-butyl-3-methylbenzoate;2-(2-hydroxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;2-[2-methoxyethyl(methyl)amino]ethyl 4-tert-butyl-3-methylbenzoate;2-(2-morpholin-4-ylethoxy)ethyl 4-tert-butyl-3-methylbenzoate;5-morpholin-4-ylpentyl 4-tert-butyl-3-methylbenzoate;pentyl 4-tert-butyl-3-methylbenzoate;pyridin-2-yl 4-tert-butyl-3-methylbenzoate
CID 160745134
Methyl 6-(2'-(5-acetoxypyridin-2-yl)-4,4'-di-tert-butyl-[1,1'-biphenyl]-2-yl)nicotinate
CID 155908924
6-(5,5,8,8-Tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid
CID 9823626
6-(3-Hexyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid
CID 9889309
4-[4-Pyridin-2-yl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butoxy]benzoic acid
CID 10161524
Benzyl 6-(3-hexyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl-carbonyloxy)-nicotinate
CID 10973423
4-[3-Pyridin-2-yl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propoxy]benzoic acid
CID 18177884
6-(3,5,5,8,8-Pentamethyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid
CID 20692729

Frequently Asked Questions

What is the IUPAC name of 5-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid?
The IUPAC name of 5-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid (CID 157296218) is 5-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid?
The canonical SMILES for 5-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid is CCCCCc1cc2c(cc1C(=O)Oc1ccc(C(=O)O)cn1)C(C)(C)CCC2(C)C.CCCCCc1cc2c(cc1C(=O)Oc1ccc(C(=O)O)nc1)C(C)(C)CCC2(C)C.
What is the InChIKey of 5-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid?
The InChIKey is BBJKHYJSGIZNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H33NO4/c1-6-7-8-9-17-14-20-21(26(4,5)13-12-25(20,2)3)15-19(17)24(30)31-18-10-11-22(23(28)29)27-16-18;1-6-7-8-9-17-14-20-21(26(4,5)13-12-25(20,2)3)15-19(17)24(30)31-22-11-10-18(16-27-22)23(28)29/h2*10-11,14-16H,6-9,12-13H2,1-5H3,(H,28,29).
What are the key properties of 5-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid?
5-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid has a molecular weight of 847.11 g/mol, XLogP of 12.16, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid is sourced from PubChem (CID 157296218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).