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

C17H15N3O4 — CID 22025214

IUPAC1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxylic acid
SMILESCNC(=O)c1cc(Oc2cccc3cc(C(=O)O)n(C)c23)ccn1
InChIInChI=1S/C17H15N3O4/c1-18-16(21)12-9-11(6-7-19-12)24-14-5-3-4-10-8-13(17(22)23)20(2)15(10)14/h3-9H,1-2H3,(H,18,21)(H,22,23)
InChIKeyHACFYZGEYWAMJY-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.42
Rot. Bonds4

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

1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxylic acid (PubChem CID 22025214) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxylic acid
PubChem CID22025214
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxylic acid
SMILESCNC(=O)c1cc(Oc2cccc3cc(C(=O)O)n(C)c23)ccn1
InChIInChI=1S/C17H15N3O4/c1-18-16(21)12-9-11(6-7-19-12)24-14-5-3-4-10-8-13(17(22)23)20(2)15(10)14/h3-9H,1-2H3,(H,18,21)(H,22,23)
InChIKeyHACFYZGEYWAMJY-UHFFFAOYSA-N
XLogP2.42
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.42
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-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxylic acid?
The IUPAC name of 1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxylic acid (CID 22025214) is 1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxylic acid?
The canonical SMILES for 1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxylic acid is CNC(=O)c1cc(Oc2cccc3cc(C(=O)O)n(C)c23)ccn1.
What is the InChIKey of 1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxylic acid?
The InChIKey is HACFYZGEYWAMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-18-16(21)12-9-11(6-7-19-12)24-14-5-3-4-10-8-13(17(22)23)20(2)15(10)14/h3-9H,1-2H3,(H,18,21)(H,22,23).
What are the key properties of 1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxylic acid?
1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxylic acid has a molecular weight of 325.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxylic acid is sourced from PubChem (CID 22025214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).