4-[6-(2-ethoxyethoxy)-1-methylindol-5-yl]oxypyridin-2-amine

C18H21N3O3 — CID 141411903

IUPAC4-[6-(2-ethoxyethoxy)-1-methylindol-5-yl]oxypyridin-2-amine
SMILESCCOCCOc1cc2c(ccn2C)cc1Oc1ccnc(N)c1
InChIInChI=1S/C18H21N3O3/c1-3-22-8-9-23-16-12-15-13(5-7-21(15)2)10-17(16)24-14-4-6-20-18(19)11-14/h4-7,10-12H,3,8-9H2,1-2H3,(H2,19,20)
InChIKeyZKRBLJLHYYOCDC-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.36
Rot. Bonds7

About 4-[6-(2-ethoxyethoxy)-1-methylindol-5-yl]oxypyridin-2-amine

4-[6-(2-ethoxyethoxy)-1-methylindol-5-yl]oxypyridin-2-amine (PubChem CID 141411903) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-[6-(2-ethoxyethoxy)-1-methylindol-5-yl]oxypyridin-2-amine.

Molecular Properties

Compound Name4-[6-(2-ethoxyethoxy)-1-methylindol-5-yl]oxypyridin-2-amine
PubChem CID141411903
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-[6-(2-ethoxyethoxy)-1-methylindol-5-yl]oxypyridin-2-amine
SMILESCCOCCOc1cc2c(ccn2C)cc1Oc1ccnc(N)c1
InChIInChI=1S/C18H21N3O3/c1-3-22-8-9-23-16-12-15-13(5-7-21(15)2)10-17(16)24-14-4-6-20-18(19)11-14/h4-7,10-12H,3,8-9H2,1-2H3,(H2,19,20)
InChIKeyZKRBLJLHYYOCDC-UHFFFAOYSA-N
XLogP3.36
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-ethoxyethoxy)-1-methylindol-5-yl]oxypyridin-2-amine?
The IUPAC name of 4-[6-(2-ethoxyethoxy)-1-methylindol-5-yl]oxypyridin-2-amine (CID 141411903) is 4-[6-(2-ethoxyethoxy)-1-methylindol-5-yl]oxypyridin-2-amine.
What is the SMILES notation for 4-[6-(2-ethoxyethoxy)-1-methylindol-5-yl]oxypyridin-2-amine?
The canonical SMILES for 4-[6-(2-ethoxyethoxy)-1-methylindol-5-yl]oxypyridin-2-amine is CCOCCOc1cc2c(ccn2C)cc1Oc1ccnc(N)c1.
What is the InChIKey of 4-[6-(2-ethoxyethoxy)-1-methylindol-5-yl]oxypyridin-2-amine?
The InChIKey is ZKRBLJLHYYOCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-22-8-9-23-16-12-15-13(5-7-21(15)2)10-17(16)24-14-4-6-20-18(19)11-14/h4-7,10-12H,3,8-9H2,1-2H3,(H2,19,20).
What are the key properties of 4-[6-(2-ethoxyethoxy)-1-methylindol-5-yl]oxypyridin-2-amine?
4-[6-(2-ethoxyethoxy)-1-methylindol-5-yl]oxypyridin-2-amine has a molecular weight of 327.38 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-ethoxyethoxy)-1-methylindol-5-yl]oxypyridin-2-amine is sourced from PubChem (CID 141411903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).