3-[(6-methoxyisoquinolin-1-yl)amino]-N,2,2-trimethylpropanamide

C16H21N3O2 — CID 106278262

IUPAC3-[(6-methoxyisoquinolin-1-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nccc2cc(OC)ccc12
InChIInChI=1S/C16H21N3O2/c1-16(2,15(20)17-3)10-19-14-13-6-5-12(21-4)9-11(13)7-8-18-14/h5-9H,10H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyYTLFSEXRYUNEPT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.43
Rot. Bonds5

About 3-[(6-methoxyisoquinolin-1-yl)amino]-N,2,2-trimethylpropanamide

3-[(6-methoxyisoquinolin-1-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 106278262) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[(6-methoxyisoquinolin-1-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(6-methoxyisoquinolin-1-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID106278262
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[(6-methoxyisoquinolin-1-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nccc2cc(OC)ccc12
InChIInChI=1S/C16H21N3O2/c1-16(2,15(20)17-3)10-19-14-13-6-5-12(21-4)9-11(13)7-8-18-14/h5-9H,10H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyYTLFSEXRYUNEPT-UHFFFAOYSA-N
XLogP2.43
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(6-methoxyisoquinolin-1-yl)amino]-N,2,2-trimethylpropanamide 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

1-[(6-methoxyisoquinolin-1-yl)amino]-2-methylpentan-2-ol
CID 106290621
1-[(6-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol
CID 106539008
2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide
CID 106537629
3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 114167524
N-(2-chloropropyl)-6-methoxyisoquinolin-1-amine
CID 106542661
2-[[(6-methoxyisoquinolin-1-yl)amino]methyl]phenol
CID 106539936
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]phenol
CID 106539932
2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]-2-methylbutanoic acid
CID 106536428
N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine
CID 106539875
1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol
CID 106539773
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 106130064
1-N-(6-methoxyisoquinolin-1-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159174

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxyisoquinolin-1-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(6-methoxyisoquinolin-1-yl)amino]-N,2,2-trimethylpropanamide (CID 106278262) is 3-[(6-methoxyisoquinolin-1-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(6-methoxyisoquinolin-1-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(6-methoxyisoquinolin-1-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1nccc2cc(OC)ccc12.
What is the InChIKey of 3-[(6-methoxyisoquinolin-1-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is YTLFSEXRYUNEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2,15(20)17-3)10-19-14-13-6-5-12(21-4)9-11(13)7-8-18-14/h5-9H,10H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 3-[(6-methoxyisoquinolin-1-yl)amino]-N,2,2-trimethylpropanamide?
3-[(6-methoxyisoquinolin-1-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 287.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxyisoquinolin-1-yl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106278262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).