5-(2-methoxyethoxy)-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid

C19H20N2O4 — CID 175931837

IUPAC5-(2-methoxyethoxy)-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid
SMILESCOCCOc1ccc2c(c1)cc(C(=O)O)n2Cc1cccc(C)n1
InChIInChI=1S/C19H20N2O4/c1-13-4-3-5-15(20-13)12-21-17-7-6-16(25-9-8-24-2)10-14(17)11-18(21)19(22)23/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,23)
InChIKeyDQVWPXIOMPALPL-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.12
Rot. Bonds7

About 5-(2-methoxyethoxy)-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid

5-(2-methoxyethoxy)-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid (PubChem CID 175931837) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-(2-methoxyethoxy)-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxyethoxy)-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid
PubChem CID175931837
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name5-(2-methoxyethoxy)-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid
SMILESCOCCOc1ccc2c(c1)cc(C(=O)O)n2Cc1cccc(C)n1
InChIInChI=1S/C19H20N2O4/c1-13-4-3-5-15(20-13)12-21-17-7-6-16(25-9-8-24-2)10-14(17)11-18(21)19(22)23/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,23)
InChIKeyDQVWPXIOMPALPL-UHFFFAOYSA-N
XLogP3.12
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid
CID 175952664
5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylic acid
CID 168741031
5-[2-(dimethylamino)ethoxy]-7-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid
CID 170126032
methyl 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylate
CID 166518412
5-ethoxy-1-ethylindole-2-carboxylic acid
CID 69018922
5-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid
CID 175952620
6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903651
5-(methoxymethyl)-7-methyl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid
CID 170299637
2-methyl-3-[(6-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxylic acid
CID 115933267
methyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate
CID 67685173
1-[(2-methyl-1,3-thiazol-5-yl)methyl]indole-2-carboxylic acid
CID 63019955
1-[(3aR,6aS)-1-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-3-methoxypropan-1-one
CID 97386517

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxy)-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid?
The IUPAC name of 5-(2-methoxyethoxy)-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid (CID 175931837) is 5-(2-methoxyethoxy)-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid.
What is the SMILES notation for 5-(2-methoxyethoxy)-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid?
The canonical SMILES for 5-(2-methoxyethoxy)-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid is COCCOc1ccc2c(c1)cc(C(=O)O)n2Cc1cccc(C)n1.
What is the InChIKey of 5-(2-methoxyethoxy)-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid?
The InChIKey is DQVWPXIOMPALPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-4-3-5-15(20-13)12-21-17-7-6-16(25-9-8-24-2)10-14(17)11-18(21)19(22)23/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,23).
What are the key properties of 5-(2-methoxyethoxy)-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid?
5-(2-methoxyethoxy)-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxy)-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid is sourced from PubChem (CID 175931837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).