1-methyl-7-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid

C17H17N3O3 — CID 22025182

IUPAC1-methyl-7-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid
SMILESCNCc1cc(Oc2cccc3cc(C(=O)O)n(C)c23)ccn1
InChIInChI=1S/C17H17N3O3/c1-18-10-12-9-13(6-7-19-12)23-15-5-3-4-11-8-14(17(21)22)20(2)16(11)15/h3-9,18H,10H2,1-2H3,(H,21,22)
InChIKeyCZCAZJIJTMTVTF-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.78
Rot. Bonds5

About 1-methyl-7-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid

1-methyl-7-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid (PubChem CID 22025182) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-methyl-7-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-7-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid
PubChem CID22025182
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name1-methyl-7-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid
SMILESCNCc1cc(Oc2cccc3cc(C(=O)O)n(C)c23)ccn1
InChIInChI=1S/C17H17N3O3/c1-18-10-12-9-13(6-7-19-12)23-15-5-3-4-11-8-14(17(21)22)20(2)16(11)15/h3-9,18H,10H2,1-2H3,(H,21,22)
InChIKeyCZCAZJIJTMTVTF-UHFFFAOYSA-N
XLogP2.78
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid?
The IUPAC name of 1-methyl-7-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid (CID 22025182) is 1-methyl-7-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-7-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid?
The canonical SMILES for 1-methyl-7-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid is CNCc1cc(Oc2cccc3cc(C(=O)O)n(C)c23)ccn1.
What is the InChIKey of 1-methyl-7-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid?
The InChIKey is CZCAZJIJTMTVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-18-10-12-9-13(6-7-19-12)23-15-5-3-4-11-8-14(17(21)22)20(2)16(11)15/h3-9,18H,10H2,1-2H3,(H,21,22).
What are the key properties of 1-methyl-7-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid?
1-methyl-7-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid is sourced from PubChem (CID 22025182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).