5-(2-aminoethyl)-2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid

C16H21N3O2 — CID 83946538

IUPAC5-(2-aminoethyl)-2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
SMILESCCN1CCc2c(c3cc(C(=O)O)ccc3n2CCN)C1
InChIInChI=1S/C16H21N3O2/c1-2-18-7-5-15-13(10-18)12-9-11(16(20)21)3-4-14(12)19(15)8-6-17/h3-4,9H,2,5-8,10,17H2,1H3,(H,20,21)
InChIKeyARJBSDIKYDRAFL-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.68
Rot. Bonds4

About 5-(2-aminoethyl)-2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid

5-(2-aminoethyl)-2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid (PubChem CID 83946538) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-(2-aminoethyl)-2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid.

Molecular Properties

Compound Name5-(2-aminoethyl)-2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
PubChem CID83946538
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-(2-aminoethyl)-2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
SMILESCCN1CCc2c(c3cc(C(=O)O)ccc3n2CCN)C1
InChIInChI=1S/C16H21N3O2/c1-2-18-7-5-15-13(10-18)12-9-11(16(20)21)3-4-14(12)19(15)8-6-17/h3-4,9H,2,5-8,10,17H2,1H3,(H,20,21)
InChIKeyARJBSDIKYDRAFL-UHFFFAOYSA-N
XLogP1.68
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxycarbonyl-5-(3-hydroxypropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
CID 112719792
4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
CID 83946840
5-(3-aminopropyl)-2-ethyl-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-6-carboxylic acid
CID 83946523
9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83946769
2,5-diethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbaldehyde
CID 172623322
5-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
CID 69281320
9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83946773
N-[(1,3-diaminoisoquinolin-6-yl)methyl]-2,5-diethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide
CID 172622973
acetylene;[2-(cyclopropylmethyl)-5-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone
CID 143296378
9-[6-(3,6-dicarboxycarbazol-9-yl)hexyl]carbazole-3,6-dicarboxylic acid
CID 53342508
2-methoxycarbonyl-5-(2-methoxy-2-oxoethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
CID 112719794
2-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanamine
CID 166436443

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid?
The IUPAC name of 5-(2-aminoethyl)-2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid (CID 83946538) is 5-(2-aminoethyl)-2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid.
What is the SMILES notation for 5-(2-aminoethyl)-2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid?
The canonical SMILES for 5-(2-aminoethyl)-2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid is CCN1CCc2c(c3cc(C(=O)O)ccc3n2CCN)C1.
What is the InChIKey of 5-(2-aminoethyl)-2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid?
The InChIKey is ARJBSDIKYDRAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-18-7-5-15-13(10-18)12-9-11(16(20)21)3-4-14(12)19(15)8-6-17/h3-4,9H,2,5-8,10,17H2,1H3,(H,20,21).
What are the key properties of 5-(2-aminoethyl)-2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid?
5-(2-aminoethyl)-2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid is sourced from PubChem (CID 83946538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).