N-(1,3-benzodioxol-5-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine

C20H21N3O3 — CID 53493642

IUPACN-(1,3-benzodioxol-5-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine
SMILESCOC1CCc2c(c3ccc(Nc4ccc5c(c4)OCO5)nc3n2C)C1
InChIInChI=1S/C20H21N3O3/c1-23-16-6-4-13(24-2)10-15(16)14-5-8-19(22-20(14)23)21-12-3-7-17-18(9-12)26-11-25-17/h3,5,7-9,13H,4,6,10-11H2,1-2H3,(H,21,22)
InChIKeyUEBHASDZUMCFJA-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.55
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine

N-(1,3-benzodioxol-5-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine (PubChem CID 53493642) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine
PubChem CID53493642
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine
SMILESCOC1CCc2c(c3ccc(Nc4ccc5c(c4)OCO5)nc3n2C)C1
InChIInChI=1S/C20H21N3O3/c1-23-16-6-4-13(24-2)10-15(16)14-5-8-19(22-20(14)23)21-12-3-7-17-18(9-12)26-11-25-17/h3,5,7-9,13H,4,6,10-11H2,1-2H3,(H,21,22)
InChIKeyUEBHASDZUMCFJA-UHFFFAOYSA-N
XLogP3.55
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine (CID 53493642) is N-(1,3-benzodioxol-5-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine is COC1CCc2c(c3ccc(Nc4ccc5c(c4)OCO5)nc3n2C)C1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine?
The InChIKey is UEBHASDZUMCFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-23-16-6-4-13(24-2)10-15(16)14-5-8-19(22-20(14)23)21-12-3-7-17-18(9-12)26-11-25-17/h3,5,7-9,13H,4,6,10-11H2,1-2H3,(H,21,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine?
N-(1,3-benzodioxol-5-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine has a molecular weight of 351.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine is sourced from PubChem (CID 53493642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).