6-[(2-butan-2-yl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid

C20H22N2O3 — CID 69097215

IUPAC6-[(2-butan-2-yl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
SMILESCCC(C)c1[nH]c2cc(OC)ccc2c1Cc1cccc(C(=O)O)n1
InChIInChI=1S/C20H22N2O3/c1-4-12(2)19-16(10-13-6-5-7-17(21-13)20(23)24)15-9-8-14(25-3)11-18(15)22-19/h5-9,11-12,22H,4,10H2,1-3H3,(H,23,24)
InChIKeyHXKLSSUKHUTAKU-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.37
Rot. Bonds6

About 6-[(2-butan-2-yl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid

6-[(2-butan-2-yl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 69097215) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-[(2-butan-2-yl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-butan-2-yl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
PubChem CID69097215
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name6-[(2-butan-2-yl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
SMILESCCC(C)c1[nH]c2cc(OC)ccc2c1Cc1cccc(C(=O)O)n1
InChIInChI=1S/C20H22N2O3/c1-4-12(2)19-16(10-13-6-5-7-17(21-13)20(23)24)15-9-8-14(25-3)11-18(15)22-19/h5-9,11-12,22H,4,10H2,1-3H3,(H,23,24)
InChIKeyHXKLSSUKHUTAKU-UHFFFAOYSA-N
XLogP4.37
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(2-butan-2-yl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 50903301
2-butan-2-yl-3-[[6-(2,3-dihydro-1H-tetrazol-5-yl)-2-pyridinyl]methyl]-6-methoxy-1H-indole
CID 90359439
6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 68755330
6-[[6-methoxy-2-(2-methylfuran-3-yl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 69096906
6-[(5-chloro-6-methoxy-2-propan-2-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 68758001
6-[[2-(1-methylcyclopropyl)-6-propan-2-yloxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 144559991
methyl 6-[(2-cyclopropyl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 69097116
[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]methanol
CID 86703303
6-[[6-methoxy-2-(1-methylcyclopropyl)-5-propyl-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 72950103
6-[[6-ethyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 72949581
6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904831
6-[(2-tert-butyl-6-ethoxy-5-methyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 69097254

Frequently Asked Questions

What is the IUPAC name of 6-[(2-butan-2-yl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-butan-2-yl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid (CID 69097215) is 6-[(2-butan-2-yl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-butan-2-yl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-butan-2-yl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid is CCC(C)c1[nH]c2cc(OC)ccc2c1Cc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(2-butan-2-yl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is HXKLSSUKHUTAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-4-12(2)19-16(10-13-6-5-7-17(21-13)20(23)24)15-9-8-14(25-3)11-18(15)22-19/h5-9,11-12,22H,4,10H2,1-3H3,(H,23,24).
What are the key properties of 6-[(2-butan-2-yl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
6-[(2-butan-2-yl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 338.41 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-butan-2-yl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 69097215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).