2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C19H21N3 — CID 54579957

IUPAC2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3ccccc3n2CCc2ccncc2)C1
InChIInChI=1S/C19H21N3/c1-21-12-9-19-17(14-21)16-4-2-3-5-18(16)22(19)13-8-15-6-10-20-11-7-15/h2-7,10-11H,8-9,12-14H2,1H3
InChIKeyBRMMBDRDSQRBHU-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.27
Rot. Bonds3

About 2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 54579957) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID54579957
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3ccccc3n2CCc2ccncc2)C1
InChIInChI=1S/C19H21N3/c1-21-12-9-19-17(14-21)16-4-2-3-5-18(16)22(19)13-8-15-6-10-20-11-7-15/h2-7,10-11H,8-9,12-14H2,1H3
InChIKeyBRMMBDRDSQRBHU-UHFFFAOYSA-N
XLogP3.27
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
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 2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 54579957) is 2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is CN1CCc2c(c3ccccc3n2CCc2ccncc2)C1.
What is the InChIKey of 2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is BRMMBDRDSQRBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-21-12-9-19-17(14-21)16-4-2-3-5-18(16)22(19)13-8-15-6-10-20-11-7-15/h2-7,10-11H,8-9,12-14H2,1H3.
What are the key properties of 2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 291.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 54579957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).