2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbonitrile

C20H20N4 — CID 54585848

IUPAC2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbonitrile
SMILESCN1CCc2c(c3cc(C#N)ccc3n2CCc2ccccn2)C1
InChIInChI=1S/C20H20N4/c1-23-10-8-20-18(14-23)17-12-15(13-21)5-6-19(17)24(20)11-7-16-4-2-3-9-22-16/h2-6,9,12H,7-8,10-11,14H2,1H3
InChIKeyYRIQXMPDJZLBBB-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.14
Rot. Bonds3

About 2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbonitrile

2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbonitrile (PubChem CID 54585848) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbonitrile
PubChem CID54585848
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbonitrile
SMILESCN1CCc2c(c3cc(C#N)ccc3n2CCc2ccccn2)C1
InChIInChI=1S/C20H20N4/c1-23-10-8-20-18(14-23)17-12-15(13-21)5-6-19(17)24(20)11-7-16-4-2-3-9-22-16/h2-6,9,12H,7-8,10-11,14H2,1H3
InChIKeyYRIQXMPDJZLBBB-UHFFFAOYSA-N
XLogP3.14
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(benzenesulfonyl)-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 45113534
9-fluoro-2-methyl-6-(2-pyridin-2-ylethyl)-1,3,4,5-tetrahydroazepino[4,3-b]indole
CID 58147068
8-ethyl-1,2-dimethyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759164
3-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanenitrile
CID 68595185
2-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanamine
CID 166436443
2,9-dimethyl-3-[2-[8-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one
CID 71695193
5-ethyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 126571284
ethene;(2S)-2-(prop-1-en-2-ylamino)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile
CID 142352015
8-fluoro-2-methyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 140550833
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 33207768
2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;ethane
CID 143998170
5-[2-(4-ethylphenyl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 58147048

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbonitrile?
The IUPAC name of 2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbonitrile (CID 54585848) is 2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbonitrile.
What is the SMILES notation for 2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbonitrile?
The canonical SMILES for 2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbonitrile is CN1CCc2c(c3cc(C#N)ccc3n2CCc2ccccn2)C1.
What is the InChIKey of 2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbonitrile?
The InChIKey is YRIQXMPDJZLBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-23-10-8-20-18(14-23)17-12-15(13-21)5-6-19(17)24(20)11-7-16-4-2-3-9-22-16/h2-6,9,12H,7-8,10-11,14H2,1H3.
What are the key properties of 2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbonitrile?
2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbonitrile has a molecular weight of 316.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbonitrile is sourced from PubChem (CID 54585848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).