5-methyl-1-pyridin-3-ylpyrido[4,3-b]indole

C17H13N3 — CID 175762505

IUPAC5-methyl-1-pyridin-3-ylpyrido[4,3-b]indole
SMILESCn1c2ccccc2c2c(-c3cccnc3)nccc21
InChIInChI=1S/C17H13N3/c1-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)12-5-4-9-18-11-12/h2-11H,1H3
InChIKeyPLEKJVHFLRTMBX-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.79
Rot. Bonds1

About 5-methyl-1-pyridin-3-ylpyrido[4,3-b]indole

5-methyl-1-pyridin-3-ylpyrido[4,3-b]indole (PubChem CID 175762505) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-methyl-1-pyridin-3-ylpyrido[4,3-b]indole.

Molecular Properties

Compound Name5-methyl-1-pyridin-3-ylpyrido[4,3-b]indole
PubChem CID175762505
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name5-methyl-1-pyridin-3-ylpyrido[4,3-b]indole
SMILESCn1c2ccccc2c2c(-c3cccnc3)nccc21
InChIInChI=1S/C17H13N3/c1-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)12-5-4-9-18-11-12/h2-11H,1H3
InChIKeyPLEKJVHFLRTMBX-UHFFFAOYSA-N
XLogP3.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-pyridin-3-ylpyrido[4,3-b]indole?
The IUPAC name of 5-methyl-1-pyridin-3-ylpyrido[4,3-b]indole (CID 175762505) is 5-methyl-1-pyridin-3-ylpyrido[4,3-b]indole.
What is the SMILES notation for 5-methyl-1-pyridin-3-ylpyrido[4,3-b]indole?
The canonical SMILES for 5-methyl-1-pyridin-3-ylpyrido[4,3-b]indole is Cn1c2ccccc2c2c(-c3cccnc3)nccc21.
What is the InChIKey of 5-methyl-1-pyridin-3-ylpyrido[4,3-b]indole?
The InChIKey is PLEKJVHFLRTMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c1-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)12-5-4-9-18-11-12/h2-11H,1H3.
What are the key properties of 5-methyl-1-pyridin-3-ylpyrido[4,3-b]indole?
5-methyl-1-pyridin-3-ylpyrido[4,3-b]indole has a molecular weight of 259.31 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-pyridin-3-ylpyrido[4,3-b]indole is sourced from PubChem (CID 175762505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).