2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone

C13H15N3O — CID 60718919

IUPAC2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
SMILESNCC(=O)N1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C13H15N3O/c14-7-13(17)16-6-5-12-10(8-16)9-3-1-2-4-11(9)15-12/h1-4,15H,5-8,14H2
InChIKeyPBSCWMWGRYROAU-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.01
Rot. Bonds1

About 2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone

2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone (PubChem CID 60718919) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
PubChem CID60718919
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
SMILESNCC(=O)N1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C13H15N3O/c14-7-13(17)16-6-5-12-10(8-16)9-3-1-2-4-11(9)15-12/h1-4,15H,5-8,14H2
InChIKeyPBSCWMWGRYROAU-UHFFFAOYSA-N
XLogP1.01
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone 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

2-(2-aminoacetyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
CID 58912958
1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexan-1-one
CID 36804449
2-piperidin-1-ium-1-yl-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 6954140
N-(diaminomethylidene)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 59626459
2-hydroxyethyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 79346688
N-hydroxy-8-oxo-8-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)octanamide
CID 155670972
N-hydroxy-6-oxo-6-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexanamide
CID 155670974
1-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]piperidine-4-carboxamide
CID 933647
methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 23883966
3-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3-thiazolidin-4-one
CID 18138701
4-(1H-indol-3-yl)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-1-one
CID 17467441
[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl] 3-aminopyrazine-2-carboxylate
CID 30256642

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone?
The IUPAC name of 2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone (CID 60718919) is 2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone is NCC(=O)N1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of 2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone?
The InChIKey is PBSCWMWGRYROAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-7-13(17)16-6-5-12-10(8-16)9-3-1-2-4-11(9)15-12/h1-4,15H,5-8,14H2.
What are the key properties of 2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone?
2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone has a molecular weight of 229.28 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone is sourced from PubChem (CID 60718919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).