2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetamide

C15H15N3O2 — CID 155541088

IUPAC2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetamide
SMILESCOc1ccc2c3ccnc(C)c3n(CC(N)=O)c2c1
InChIInChI=1S/C15H15N3O2/c1-9-15-12(5-6-17-9)11-4-3-10(20-2)7-13(11)18(15)8-14(16)19/h3-7H,8H2,1-2H3,(H2,16,19)
InChIKeySOPXXIHSOWBNGI-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.99
Rot. Bonds3

About 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetamide

2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetamide (PubChem CID 155541088) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetamide.

Molecular Properties

Compound Name2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetamide
PubChem CID155541088
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetamide
SMILESCOc1ccc2c3ccnc(C)c3n(CC(N)=O)c2c1
InChIInChI=1S/C15H15N3O2/c1-9-15-12(5-6-17-9)11-4-3-10(20-2)7-13(11)18(15)8-14(16)19/h3-7H,8H2,1-2H3,(H2,16,19)
InChIKeySOPXXIHSOWBNGI-UHFFFAOYSA-N
XLogP1.99
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetamide?
The IUPAC name of 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetamide (CID 155541088) is 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetamide.
What is the SMILES notation for 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetamide?
The canonical SMILES for 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetamide is COc1ccc2c3ccnc(C)c3n(CC(N)=O)c2c1.
What is the InChIKey of 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetamide?
The InChIKey is SOPXXIHSOWBNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-15-12(5-6-17-9)11-4-3-10(20-2)7-13(11)18(15)8-14(16)19/h3-7H,8H2,1-2H3,(H2,16,19).
What are the key properties of 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetamide?
2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetamide has a molecular weight of 269.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetamide is sourced from PubChem (CID 155541088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).