5-[2-(dimethylamino)ethoxy]-7-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid

C21H25N3O3 — CID 170126032

IUPAC5-[2-(dimethylamino)ethoxy]-7-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid
SMILESCc1cccc(Cn2c(C(=O)O)cc3cc(OCCN(C)C)cc(C)c32)n1
InChIInChI=1S/C21H25N3O3/c1-14-10-18(27-9-8-23(3)4)11-16-12-19(21(25)26)24(20(14)16)13-17-7-5-6-15(2)22-17/h5-7,10-12H,8-9,13H2,1-4H3,(H,25,26)
InChIKeyZDIUJRPSZLDFTH-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.34
Rot. Bonds7

About 5-[2-(dimethylamino)ethoxy]-7-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid

5-[2-(dimethylamino)ethoxy]-7-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid (PubChem CID 170126032) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethoxy]-7-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethoxy]-7-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid
PubChem CID170126032
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name5-[2-(dimethylamino)ethoxy]-7-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid
SMILESCc1cccc(Cn2c(C(=O)O)cc3cc(OCCN(C)C)cc(C)c32)n1
InChIInChI=1S/C21H25N3O3/c1-14-10-18(27-9-8-23(3)4)11-16-12-19(21(25)26)24(20(14)16)13-17-7-5-6-15(2)22-17/h5-7,10-12H,8-9,13H2,1-4H3,(H,25,26)
InChIKeyZDIUJRPSZLDFTH-UHFFFAOYSA-N
XLogP3.34
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethoxy]-7-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid?
The IUPAC name of 5-[2-(dimethylamino)ethoxy]-7-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid (CID 170126032) is 5-[2-(dimethylamino)ethoxy]-7-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid.
What is the SMILES notation for 5-[2-(dimethylamino)ethoxy]-7-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid?
The canonical SMILES for 5-[2-(dimethylamino)ethoxy]-7-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid is Cc1cccc(Cn2c(C(=O)O)cc3cc(OCCN(C)C)cc(C)c32)n1.
What is the InChIKey of 5-[2-(dimethylamino)ethoxy]-7-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid?
The InChIKey is ZDIUJRPSZLDFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14-10-18(27-9-8-23(3)4)11-16-12-19(21(25)26)24(20(14)16)13-17-7-5-6-15(2)22-17/h5-7,10-12H,8-9,13H2,1-4H3,(H,25,26).
What are the key properties of 5-[2-(dimethylamino)ethoxy]-7-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid?
5-[2-(dimethylamino)ethoxy]-7-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid has a molecular weight of 367.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethoxy]-7-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid is sourced from PubChem (CID 170126032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).