6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid

C22H25NO4 — CID 20692729

IUPAC6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid
SMILESCc1cc2c(cc1C(=O)Oc1ccc(C(=O)O)cn1)C(C)(C)CCC2(C)C
InChIInChI=1S/C22H25NO4/c1-13-10-16-17(22(4,5)9-8-21(16,2)3)11-15(13)20(26)27-18-7-6-14(12-23-18)19(24)25/h6-7,10-12H,8-9H2,1-5H3,(H,24,25)
InChIKeyREERNQZVZRSNMP-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.66
Rot. Bonds3

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

6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid (PubChem CID 20692729) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid
PubChem CID20692729
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid
SMILESCc1cc2c(cc1C(=O)Oc1ccc(C(=O)O)cn1)C(C)(C)CCC2(C)C
InChIInChI=1S/C22H25NO4/c1-13-10-16-17(22(4,5)9-8-21(16,2)3)11-15(13)20(26)27-18-7-6-14(12-23-18)19(24)25/h6-7,10-12H,8-9H2,1-5H3,(H,24,25)
InChIKeyREERNQZVZRSNMP-UHFFFAOYSA-N
XLogP4.66
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

Methyl 5-(6-methoxynaphthalen-2-yl)pyridine-3-carboxylate
CID 25034347
[2-(3,4-Dimethylphenyl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2347085
3-Pyridinecarboxylic acid [4-[heptoxy(oxo)methyl]phenyl] ester
CID 4457075
11-(2-Pyridin-3-yl-ethylidene)-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid
CID 44209424
Galle-Donau
CID 202234
4-Cyclohexyl-2-(1,1-dimethylethyl)phenyl 3-pyridinecarboxylate
CID 198586
6-Phenoxynicotinic Acid
CID 2776497
Estrapronicate
CID 66433
4-Tert-butylphenyl nicotinate
CID 765763
2-Ethoxy-3-pyridinecarboxylic acid (4-methoxycarbonylphenyl)methyl ester
CID 2365237
(7,8-Dimethyl-2-oxo-2H-chromen-4-yl)methyl 2-ethoxynicotinate
CID 2535249
4-(Butoxycarbonyl)phenyl nicotinate
CID 3239439

Frequently Asked Questions

What is the IUPAC name of 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid?
The IUPAC name of 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid (CID 20692729) is 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid?
The canonical SMILES for 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid is Cc1cc2c(cc1C(=O)Oc1ccc(C(=O)O)cn1)C(C)(C)CCC2(C)C.
What is the InChIKey of 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid?
The InChIKey is REERNQZVZRSNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-13-10-16-17(22(4,5)9-8-21(16,2)3)11-15(13)20(26)27-18-7-6-14(12-23-18)19(24)25/h6-7,10-12H,8-9H2,1-5H3,(H,24,25).
What are the key properties of 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid?
6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid has a molecular weight of 367.45 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid is sourced from PubChem (CID 20692729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).