2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine

C21H26N4O2 — CID 53492862

IUPAC2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine
SMILESCNC1CCc2c(c3ccc(Nc4ccc(OC)c(OC)c4)nc3n2C)C1
InChIInChI=1S/C21H26N4O2/c1-22-13-5-8-17-16(11-13)15-7-10-20(24-21(15)25(17)2)23-14-6-9-18(26-3)19(12-14)27-4/h6-7,9-10,12-13,22H,5,8,11H2,1-4H3,(H,23,24)
InChIKeyOYLJGOSHFXIJAC-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.41
Rot. Bonds5

About 2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine

2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine (PubChem CID 53492862) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine.

Molecular Properties

Compound Name2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine
PubChem CID53492862
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine
SMILESCNC1CCc2c(c3ccc(Nc4ccc(OC)c(OC)c4)nc3n2C)C1
InChIInChI=1S/C21H26N4O2/c1-22-13-5-8-17-16(11-13)15-7-10-20(24-21(15)25(17)2)23-14-6-9-18(26-3)19(12-14)27-4/h6-7,9-10,12-13,22H,5,8,11H2,1-4H3,(H,23,24)
InChIKeyOYLJGOSHFXIJAC-UHFFFAOYSA-N
XLogP3.41
TPSA60.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine?
The IUPAC name of 2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine (CID 53492862) is 2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine.
What is the SMILES notation for 2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine?
The canonical SMILES for 2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine is CNC1CCc2c(c3ccc(Nc4ccc(OC)c(OC)c4)nc3n2C)C1.
What is the InChIKey of 2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine?
The InChIKey is OYLJGOSHFXIJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-22-13-5-8-17-16(11-13)15-7-10-20(24-21(15)25(17)2)23-14-6-9-18(26-3)19(12-14)27-4/h6-7,9-10,12-13,22H,5,8,11H2,1-4H3,(H,23,24).
What are the key properties of 2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine?
2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine has a molecular weight of 366.47 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine is sourced from PubChem (CID 53492862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).