N-(1-aminoisoquinolin-6-yl)-2-methylpropanamide

C13H15N3O — CID 58181545

IUPACN-(1-aminoisoquinolin-6-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2c(N)nccc2c1
InChIInChI=1S/C13H15N3O/c1-8(2)13(17)16-10-3-4-11-9(7-10)5-6-15-12(11)14/h3-8H,1-2H3,(H2,14,15)(H,16,17)
InChIKeyBHUXSZHQBZAEIM-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.41
Rot. Bonds2

About N-(1-aminoisoquinolin-6-yl)-2-methylpropanamide

N-(1-aminoisoquinolin-6-yl)-2-methylpropanamide (PubChem CID 58181545) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(1-aminoisoquinolin-6-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-aminoisoquinolin-6-yl)-2-methylpropanamide
PubChem CID58181545
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(1-aminoisoquinolin-6-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2c(N)nccc2c1
InChIInChI=1S/C13H15N3O/c1-8(2)13(17)16-10-3-4-11-9(7-10)5-6-15-12(11)14/h3-8H,1-2H3,(H2,14,15)(H,16,17)
InChIKeyBHUXSZHQBZAEIM-UHFFFAOYSA-N
XLogP2.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-aminoisoquinolin-6-yl)-2-methylpropanamide 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

(2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide
CID 118501226
N-[3-[(1-aminoisoquinolin-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide
CID 76647669
N-(6,8-dihydroxynaphthalen-2-yl)-2-methylpropanamide
CID 163233006
N-(1-aminoisoquinolin-6-yl)-N'-(4-chlorophenyl)-N'-(2-hydroxyethyl)butanediamide
CID 91264124
N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
CID 75153689
(2R)-2-amino-N-isoquinolin-7-ylpropanamide
CID 143835727
4-[2-[1-[(1-aminoisoquinolin-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-imidazol-5-yl]benzamide
CID 11518547
(2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide
CID 130857652
2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-methylsulfanylacetamide;ethane
CID 142933175
N-[3-[(1-aminoisoquinolin-7-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]benzamide
CID 24797842
N-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 16776651
2-[(1-aminoisoquinolin-6-yl)amino]-N-[[3-(carbamoylamino)phenyl]methyl]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide
CID 15948165

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoisoquinolin-6-yl)-2-methylpropanamide?
The IUPAC name of N-(1-aminoisoquinolin-6-yl)-2-methylpropanamide (CID 58181545) is N-(1-aminoisoquinolin-6-yl)-2-methylpropanamide.
What is the SMILES notation for N-(1-aminoisoquinolin-6-yl)-2-methylpropanamide?
The canonical SMILES for N-(1-aminoisoquinolin-6-yl)-2-methylpropanamide is CC(C)C(=O)Nc1ccc2c(N)nccc2c1.
What is the InChIKey of N-(1-aminoisoquinolin-6-yl)-2-methylpropanamide?
The InChIKey is BHUXSZHQBZAEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8(2)13(17)16-10-3-4-11-9(7-10)5-6-15-12(11)14/h3-8H,1-2H3,(H2,14,15)(H,16,17).
What are the key properties of N-(1-aminoisoquinolin-6-yl)-2-methylpropanamide?
N-(1-aminoisoquinolin-6-yl)-2-methylpropanamide has a molecular weight of 229.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoisoquinolin-6-yl)-2-methylpropanamide is sourced from PubChem (CID 58181545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).