2-amino-N-isoquinolin-5-yl-2-methylpropanamide

C13H15N3O — CID 61264999

IUPAC2-amino-N-isoquinolin-5-yl-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1cccc2cnccc12
InChIInChI=1S/C13H15N3O/c1-13(2,14)12(17)16-11-5-3-4-9-8-15-7-6-10(9)11/h3-8H,14H2,1-2H3,(H,16,17)
InChIKeyPWMXHYFMSXVHKJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.91
Rot. Bonds2

About 2-amino-N-isoquinolin-5-yl-2-methylpropanamide

2-amino-N-isoquinolin-5-yl-2-methylpropanamide (PubChem CID 61264999) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-amino-N-isoquinolin-5-yl-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-isoquinolin-5-yl-2-methylpropanamide
PubChem CID61264999
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-amino-N-isoquinolin-5-yl-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1cccc2cnccc12
InChIInChI=1S/C13H15N3O/c1-13(2,14)12(17)16-11-5-3-4-9-8-15-7-6-10(9)11/h3-8H,14H2,1-2H3,(H,16,17)
InChIKeyPWMXHYFMSXVHKJ-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-isoquinolin-5-yl-3,3-dimethylbutanamide
CID 29371824
isoquinolin-5-ylthiourea
CID 1480924
3-(isoquinolin-5-ylcarbamoylamino)-3-methylbutanoic acid
CID 64701832
1-[(2R)-2-hydroxy-3,3-dimethylbutyl]-3-isoquinolin-5-ylurea
CID 95329190
N-isoquinolin-5-yl-3-sulfanylpropanamide
CID 107023450
2-amino-N-isoquinolin-5-ylcyclopropane-1-carboxamide
CID 114995606
N-isoquinolin-5-yl-2-methylbenzamide
CID 110483002
(2R)-2-amino-N-isoquinolin-5-ylpentanamide
CID 107568420
3-(ethylamino)-N-isoquinolin-5-ylpropanamide
CID 62831440
N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide
CID 54924139
2-anilino-N-isoquinolin-5-ylacetamide
CID 60860768
2-ethoxy-N-isoquinolin-5-ylacetamide
CID 60719162

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-isoquinolin-5-yl-2-methylpropanamide?
The IUPAC name of 2-amino-N-isoquinolin-5-yl-2-methylpropanamide (CID 61264999) is 2-amino-N-isoquinolin-5-yl-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-isoquinolin-5-yl-2-methylpropanamide?
The canonical SMILES for 2-amino-N-isoquinolin-5-yl-2-methylpropanamide is CC(C)(N)C(=O)Nc1cccc2cnccc12.
What is the InChIKey of 2-amino-N-isoquinolin-5-yl-2-methylpropanamide?
The InChIKey is PWMXHYFMSXVHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-13(2,14)12(17)16-11-5-3-4-9-8-15-7-6-10(9)11/h3-8H,14H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-isoquinolin-5-yl-2-methylpropanamide?
2-amino-N-isoquinolin-5-yl-2-methylpropanamide has a molecular weight of 229.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-isoquinolin-5-yl-2-methylpropanamide is sourced from PubChem (CID 61264999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).