7-(2-aminophenoxy)-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide

C17H17N5O2 — CID 70213619

IUPAC7-(2-aminophenoxy)-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
SMILESC/N=C(\N)NC(=O)c1cc2cccc(Oc3ccccc3N)c2[nH]1
InChIInChI=1S/C17H17N5O2/c1-20-17(19)22-16(23)12-9-10-5-4-8-14(15(10)21-12)24-13-7-3-2-6-11(13)18/h2-9,21H,18H2,1H3,(H3,19,20,22,23)
InChIKeyJSZCELNXKWPRGA-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.22
Rot. Bonds3

About 7-(2-aminophenoxy)-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide

7-(2-aminophenoxy)-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide (PubChem CID 70213619) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 7-(2-aminophenoxy)-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-(2-aminophenoxy)-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
PubChem CID70213619
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name7-(2-aminophenoxy)-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
SMILESC/N=C(\N)NC(=O)c1cc2cccc(Oc3ccccc3N)c2[nH]1
InChIInChI=1S/C17H17N5O2/c1-20-17(19)22-16(23)12-9-10-5-4-8-14(15(10)21-12)24-13-7-3-2-6-11(13)18/h2-9,21H,18H2,1H3,(H3,19,20,22,23)
InChIKeyJSZCELNXKWPRGA-UHFFFAOYSA-N
XLogP2.22
TPSA118.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-aminophenoxy)-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-(2-aminophenoxy)-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide (CID 70213619) is 7-(2-aminophenoxy)-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-(2-aminophenoxy)-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-(2-aminophenoxy)-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide is C/N=C(\N)NC(=O)c1cc2cccc(Oc3ccccc3N)c2[nH]1.
What is the InChIKey of 7-(2-aminophenoxy)-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide?
The InChIKey is JSZCELNXKWPRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-20-17(19)22-16(23)12-9-10-5-4-8-14(15(10)21-12)24-13-7-3-2-6-11(13)18/h2-9,21H,18H2,1H3,(H3,19,20,22,23).
What are the key properties of 7-(2-aminophenoxy)-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide?
7-(2-aminophenoxy)-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminophenoxy)-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 70213619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).