2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide

C13H16N4O — CID 106947627

IUPAC2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ccc2cnccc2c1N
InChIInChI=1S/C13H16N4O/c1-17(2)12(18)8-16-11-4-3-9-7-15-6-5-10(9)13(11)14/h3-7,16H,8,14H2,1-2H3
InChIKeyXKQDUIHDJPPCOS-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.32
Rot. Bonds3

About 2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide

2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide (PubChem CID 106947627) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide
PubChem CID106947627
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ccc2cnccc2c1N
InChIInChI=1S/C13H16N4O/c1-17(2)12(18)8-16-11-4-3-9-7-15-6-5-10(9)13(11)14/h3-7,16H,8,14H2,1-2H3
InChIKeyXKQDUIHDJPPCOS-UHFFFAOYSA-N
XLogP1.32
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide 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)amino]-N,N-diethylacetamide
CID 106948362
6-N-[4-(dimethylamino)butyl]isoquinoline-5,6-diamine
CID 106947959
3-[(5-aminoisoquinolin-6-yl)amino]-2,2-dimethylpropanamide
CID 106275203
ethyl 4-[(5-aminoisoquinolin-6-yl)amino]butanoate
CID 106948155
ethyl 2-[(5-aminoisoquinolin-6-yl)amino]propanoate
CID 106947814
1-[(5-aminoisoquinolin-6-yl)amino]-4-methylpentan-2-ol
CID 107151139
6-N-[(4-ethylphenyl)methyl]isoquinoline-5,6-diamine
CID 106948521
2-[(4-carbamothioyl-3-pyridinyl)amino]-N,N-dimethylacetamide
CID 114288182
6-N-(3-ethoxypropyl)isoquinoline-5,6-diamine
CID 106947522
1-[(5-aminoisoquinolin-6-yl)amino]pentan-2-ol
CID 106948429
6-N-(1,3-thiazol-2-ylmethyl)isoquinoline-5,6-diamine
CID 106947735
5-[(5-aminoisoquinolin-6-yl)amino]-4,4-dimethylpentan-1-ol
CID 106141358

Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide (CID 106947627) is 2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide is CN(C)C(=O)CNc1ccc2cnccc2c1N.
What is the InChIKey of 2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide?
The InChIKey is XKQDUIHDJPPCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17(2)12(18)8-16-11-4-3-9-7-15-6-5-10(9)13(11)14/h3-7,16H,8,14H2,1-2H3.
What are the key properties of 2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide?
2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide has a molecular weight of 244.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 106947627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).