5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-1-carboxamide

C13H15N3O — CID 23559680

IUPAC5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-1-carboxamide
SMILESCn1c2c(c3ccccc31)C(C(N)=O)NCC2
InChIInChI=1S/C13H15N3O/c1-16-9-5-3-2-4-8(9)11-10(16)6-7-15-12(11)13(14)17/h2-5,12,15H,6-7H2,1H3,(H2,14,17)
InChIKeyYSFRZPLSLSTLNB-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.85
Rot. Bonds1

About 5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-1-carboxamide

5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-1-carboxamide (PubChem CID 23559680) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-1-carboxamide.

Molecular Properties

Compound Name5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-1-carboxamide
PubChem CID23559680
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-1-carboxamide
SMILESCn1c2c(c3ccccc31)C(C(N)=O)NCC2
InChIInChI=1S/C13H15N3O/c1-16-9-5-3-2-4-8(9)11-10(16)6-7-15-12(11)13(14)17/h2-5,12,15H,6-7H2,1H3,(H2,14,17)
InChIKeyYSFRZPLSLSTLNB-UHFFFAOYSA-N
XLogP0.85
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-1-carboxamide?
The IUPAC name of 5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-1-carboxamide (CID 23559680) is 5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-1-carboxamide.
What is the SMILES notation for 5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-1-carboxamide?
The canonical SMILES for 5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-1-carboxamide is Cn1c2c(c3ccccc31)C(C(N)=O)NCC2.
What is the InChIKey of 5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-1-carboxamide?
The InChIKey is YSFRZPLSLSTLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16-9-5-3-2-4-8(9)11-10(16)6-7-15-12(11)13(14)17/h2-5,12,15H,6-7H2,1H3,(H2,14,17).
What are the key properties of 5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-1-carboxamide?
5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-1-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-1-carboxamide is sourced from PubChem (CID 23559680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).