6-[(2-tert-butyl-6-ethoxy-5-methyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid

C22H26N2O3 — CID 69097254

IUPAC6-[(2-tert-butyl-6-ethoxy-5-methyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
SMILESCCOc1cc2[nH]c(C(C)(C)C)c(Cc3cccc(C(=O)O)n3)c2cc1C
InChIInChI=1S/C22H26N2O3/c1-6-27-19-12-18-15(10-13(19)2)16(20(24-18)22(3,4)5)11-14-8-7-9-17(23-14)21(25)26/h7-10,12,24H,6,11H2,1-5H3,(H,25,26)
InChIKeyTXDDIIQJEBDOQJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.86
Rot. Bonds5

About 6-[(2-tert-butyl-6-ethoxy-5-methyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid

6-[(2-tert-butyl-6-ethoxy-5-methyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 69097254) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 6-[(2-tert-butyl-6-ethoxy-5-methyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-tert-butyl-6-ethoxy-5-methyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
PubChem CID69097254
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name6-[(2-tert-butyl-6-ethoxy-5-methyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
SMILESCCOc1cc2[nH]c(C(C)(C)C)c(Cc3cccc(C(=O)O)n3)c2cc1C
InChIInChI=1S/C22H26N2O3/c1-6-27-19-12-18-15(10-13(19)2)16(20(24-18)22(3,4)5)11-14-8-7-9-17(23-14)21(25)26/h7-10,12,24H,6,11H2,1-5H3,(H,25,26)
InChIKeyTXDDIIQJEBDOQJ-UHFFFAOYSA-N
XLogP4.86
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(2-tert-butyl-6-ethoxy-5-methyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

methyl 6-[(6-ethoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 69097192
6-[(5-chloro-6-methoxy-2-propan-2-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 68758001
6-[[6-methoxy-2-(1-methylcyclopropyl)-5-propyl-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 72950103
6-[(2-butan-2-yl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 69097215
6-[[6-chloro-2-(2,3-dihydrothiophen-4-yl)-5-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 90378969
methyl 6-[(6-ethoxy-5-fluoro-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 69097186
6-[[6-ethyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 72949581
6-[[6-methoxy-2-(2-methylfuran-3-yl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 69096906
6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 68755330
6-[(2-ethoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 63643413
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
methyl 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 69097172

Frequently Asked Questions

What is the IUPAC name of 6-[(2-tert-butyl-6-ethoxy-5-methyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-tert-butyl-6-ethoxy-5-methyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid (CID 69097254) is 6-[(2-tert-butyl-6-ethoxy-5-methyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-tert-butyl-6-ethoxy-5-methyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-tert-butyl-6-ethoxy-5-methyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid is CCOc1cc2[nH]c(C(C)(C)C)c(Cc3cccc(C(=O)O)n3)c2cc1C.
What is the InChIKey of 6-[(2-tert-butyl-6-ethoxy-5-methyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is TXDDIIQJEBDOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-6-27-19-12-18-15(10-13(19)2)16(20(24-18)22(3,4)5)11-14-8-7-9-17(23-14)21(25)26/h7-10,12,24H,6,11H2,1-5H3,(H,25,26).
What are the key properties of 6-[(2-tert-butyl-6-ethoxy-5-methyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
6-[(2-tert-butyl-6-ethoxy-5-methyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 366.46 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-tert-butyl-6-ethoxy-5-methyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 69097254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).