2-methoxy-N-(2-methoxyethyl)-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]ethanamine

C20H25N3O2 — CID 24857246

IUPAC2-methoxy-N-(2-methoxyethyl)-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]ethanamine
SMILESCOCCN(CCOC)Cc1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C20H25N3O2/c1-24-13-11-23(12-14-25-2)15-16-3-5-17(6-4-16)18-7-9-21-20-19(18)8-10-22-20/h3-10H,11-15H2,1-2H3,(H,21,22)
InChIKeyBNRZNIOJUKNFIO-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.32
Rot. Bonds9

About 2-methoxy-N-(2-methoxyethyl)-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]ethanamine

2-methoxy-N-(2-methoxyethyl)-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]ethanamine (PubChem CID 24857246) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-methoxy-N-(2-methoxyethyl)-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-(2-methoxyethyl)-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]ethanamine
PubChem CID24857246
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-methoxy-N-(2-methoxyethyl)-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]ethanamine
SMILESCOCCN(CCOC)Cc1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C20H25N3O2/c1-24-13-11-23(12-14-25-2)15-16-3-5-17(6-4-16)18-7-9-21-20-19(18)8-10-22-20/h3-10H,11-15H2,1-2H3,(H,21,22)
InChIKeyBNRZNIOJUKNFIO-UHFFFAOYSA-N
XLogP3.32
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methoxyethyl)-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-(2-methoxyethyl)-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]ethanamine (CID 24857246) is 2-methoxy-N-(2-methoxyethyl)-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-(2-methoxyethyl)-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-(2-methoxyethyl)-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]ethanamine is COCCN(CCOC)Cc1ccc(-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of 2-methoxy-N-(2-methoxyethyl)-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]ethanamine?
The InChIKey is BNRZNIOJUKNFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-24-13-11-23(12-14-25-2)15-16-3-5-17(6-4-16)18-7-9-21-20-19(18)8-10-22-20/h3-10H,11-15H2,1-2H3,(H,21,22).
What are the key properties of 2-methoxy-N-(2-methoxyethyl)-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]ethanamine?
2-methoxy-N-(2-methoxyethyl)-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]ethanamine has a molecular weight of 339.44 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methoxyethyl)-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 24857246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).