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

C17H19N3O2 — CID 139520309

IUPAC4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide
SMILESCOc1ccc2c3ccnc(C)c3n(CCCC(N)=O)c2c1
InChIInChI=1S/C17H19N3O2/c1-11-17-14(7-8-19-11)13-6-5-12(22-2)10-15(13)20(17)9-3-4-16(18)21/h5-8,10H,3-4,9H2,1-2H3,(H2,18,21)
InChIKeyMRZRJTZGNFPMNY-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.77
Rot. Bonds5

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

4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide (PubChem CID 139520309) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide.

Molecular Properties

Compound Name4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide
PubChem CID139520309
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide
SMILESCOc1ccc2c3ccnc(C)c3n(CCCC(N)=O)c2c1
InChIInChI=1S/C17H19N3O2/c1-11-17-14(7-8-19-11)13-6-5-12(22-2)10-15(13)20(17)9-3-4-16(18)21/h5-8,10H,3-4,9H2,1-2H3,(H2,18,21)
InChIKeyMRZRJTZGNFPMNY-UHFFFAOYSA-N
XLogP2.77
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide?
The IUPAC name of 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide (CID 139520309) is 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide.
What is the SMILES notation for 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide?
The canonical SMILES for 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide is COc1ccc2c3ccnc(C)c3n(CCCC(N)=O)c2c1.
What is the InChIKey of 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide?
The InChIKey is MRZRJTZGNFPMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-17-14(7-8-19-11)13-6-5-12(22-2)10-15(13)20(17)9-3-4-16(18)21/h5-8,10H,3-4,9H2,1-2H3,(H2,18,21).
What are the key properties of 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide?
4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide has a molecular weight of 297.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide is sourced from PubChem (CID 139520309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).