2-[(5-aminoisoquinolin-6-yl)-(2-amino-2-oxoethyl)amino]acetamide

C13H15N5O2 — CID 106948039

IUPAC2-[(5-aminoisoquinolin-6-yl)-(2-amino-2-oxoethyl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)c1ccc2cnccc2c1N
InChIInChI=1S/C13H15N5O2/c14-11(19)6-18(7-12(15)20)10-2-1-8-5-17-4-3-9(8)13(10)16/h1-5H,6-7,16H2,(H2,14,19)(H2,15,20)
InChIKeyWTWTZZQKWVULFZ-UHFFFAOYSA-N
MW273.30 g/mol
LogP-0.41
Rot. Bonds5

About 2-[(5-aminoisoquinolin-6-yl)-(2-amino-2-oxoethyl)amino]acetamide

2-[(5-aminoisoquinolin-6-yl)-(2-amino-2-oxoethyl)amino]acetamide (PubChem CID 106948039) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-[(5-aminoisoquinolin-6-yl)-(2-amino-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(5-aminoisoquinolin-6-yl)-(2-amino-2-oxoethyl)amino]acetamide
PubChem CID106948039
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-[(5-aminoisoquinolin-6-yl)-(2-amino-2-oxoethyl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)c1ccc2cnccc2c1N
InChIInChI=1S/C13H15N5O2/c14-11(19)6-18(7-12(15)20)10-2-1-8-5-17-4-3-9(8)13(10)16/h1-5H,6-7,16H2,(H2,14,19)(H2,15,20)
InChIKeyWTWTZZQKWVULFZ-UHFFFAOYSA-N
XLogP-0.41
TPSA128.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(5-aminoisoquinolin-6-yl)-(2-amino-2-oxoethyl)amino]acetamide 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-[(5-aminoisoquinolin-6-yl)-propan-2-ylamino]acetamide
CID 106947872
6-N-butyl-6-N-ethylisoquinoline-5,6-diamine
CID 106947469
6-N-ethyl-6-N-(2-methylpropyl)isoquinoline-5,6-diamine
CID 106947622
2-[(5-aminoisoquinolin-6-yl)-(2-methoxyethyl)amino]ethanol
CID 106948402
6-N-[2-(dimethylamino)ethyl]-6-N-(2-methylpropyl)isoquinoline-5,6-diamine
CID 106947905
3-[(5-aminoisoquinolin-6-yl)-ethylamino]-2-methylpropanenitrile
CID 106947873
2-[(3-amino-4-pyridinyl)-ethylamino]acetamide
CID 103101114
3-[(5-aminoisoquinolin-6-yl)amino]-2,2-dimethylpropanamide
CID 106275203
6-N-methyl-6-N-(2-methylsulfanylethyl)isoquinoline-5,6-diamine
CID 106948345
2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide
CID 106947627
2-[(4-aminophenyl)methyl-(3-chloro-4-pyridinyl)amino]acetamide
CID 79841121
6-N-[(4-fluorophenyl)methyl]-6-N-methylisoquinoline-5,6-diamine
CID 106947676

Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminoisoquinolin-6-yl)-(2-amino-2-oxoethyl)amino]acetamide?
The IUPAC name of 2-[(5-aminoisoquinolin-6-yl)-(2-amino-2-oxoethyl)amino]acetamide (CID 106948039) is 2-[(5-aminoisoquinolin-6-yl)-(2-amino-2-oxoethyl)amino]acetamide.
What is the SMILES notation for 2-[(5-aminoisoquinolin-6-yl)-(2-amino-2-oxoethyl)amino]acetamide?
The canonical SMILES for 2-[(5-aminoisoquinolin-6-yl)-(2-amino-2-oxoethyl)amino]acetamide is NC(=O)CN(CC(N)=O)c1ccc2cnccc2c1N.
What is the InChIKey of 2-[(5-aminoisoquinolin-6-yl)-(2-amino-2-oxoethyl)amino]acetamide?
The InChIKey is WTWTZZQKWVULFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c14-11(19)6-18(7-12(15)20)10-2-1-8-5-17-4-3-9(8)13(10)16/h1-5H,6-7,16H2,(H2,14,19)(H2,15,20).
What are the key properties of 2-[(5-aminoisoquinolin-6-yl)-(2-amino-2-oxoethyl)amino]acetamide?
2-[(5-aminoisoquinolin-6-yl)-(2-amino-2-oxoethyl)amino]acetamide has a molecular weight of 273.30 g/mol, XLogP of -0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminoisoquinolin-6-yl)-(2-amino-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 106948039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).