2-hydroxy-3-(isoquinolin-5-ylmethylamino)propanamide

C13H15N3O2 — CID 106171853

IUPAC2-hydroxy-3-(isoquinolin-5-ylmethylamino)propanamide
SMILESNC(=O)C(O)CNCc1cccc2cnccc12
InChIInChI=1S/C13H15N3O2/c14-13(18)12(17)8-16-7-10-3-1-2-9-6-15-5-4-11(9)10/h1-6,12,16-17H,7-8H2,(H2,14,18)
InChIKeyVJSATZORUYKVJU-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.17
Rot. Bonds5

About 2-hydroxy-3-(isoquinolin-5-ylmethylamino)propanamide

2-hydroxy-3-(isoquinolin-5-ylmethylamino)propanamide (PubChem CID 106171853) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-hydroxy-3-(isoquinolin-5-ylmethylamino)propanamide.

Molecular Properties

Compound Name2-hydroxy-3-(isoquinolin-5-ylmethylamino)propanamide
PubChem CID106171853
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-hydroxy-3-(isoquinolin-5-ylmethylamino)propanamide
SMILESNC(=O)C(O)CNCc1cccc2cnccc12
InChIInChI=1S/C13H15N3O2/c14-13(18)12(17)8-16-7-10-3-1-2-9-6-15-5-4-11(9)10/h1-6,12,16-17H,7-8H2,(H2,14,18)
InChIKeyVJSATZORUYKVJU-UHFFFAOYSA-N
XLogP0.17
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(isoquinolin-5-ylmethylamino)-1-phenylethanol
CID 62823894
1-(isoquinolin-5-ylmethylamino)pentan-2-ol
CID 113381728
2-hydroxy-3-[(4-methyl-3-pyridinyl)methylamino]propanamide
CID 106171675
2-isoquinolin-5-ylacetamide
CID 68785768
ethyl 2-(isoquinolin-5-ylmethylamino)acetate
CID 62824255
3-isoquinolin-5-ylpropanamide
CID 82578287
(2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol
CID 94873246
1-N-(isoquinolin-5-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 62824247
ethyl 4-(isoquinolin-5-ylmethylamino)butanoate
CID 64580463
3-(isoquinolin-5-ylmethylamino)butan-1-ol
CID 83177363
2-(3-isoquinolin-5-ylpropanoylamino)-3-methylbutanamide
CID 167796229
1-[(isoquinolin-5-ylmethylamino)methyl]cycloheptan-1-ol
CID 65123185

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(isoquinolin-5-ylmethylamino)propanamide?
The IUPAC name of 2-hydroxy-3-(isoquinolin-5-ylmethylamino)propanamide (CID 106171853) is 2-hydroxy-3-(isoquinolin-5-ylmethylamino)propanamide.
What is the SMILES notation for 2-hydroxy-3-(isoquinolin-5-ylmethylamino)propanamide?
The canonical SMILES for 2-hydroxy-3-(isoquinolin-5-ylmethylamino)propanamide is NC(=O)C(O)CNCc1cccc2cnccc12.
What is the InChIKey of 2-hydroxy-3-(isoquinolin-5-ylmethylamino)propanamide?
The InChIKey is VJSATZORUYKVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-13(18)12(17)8-16-7-10-3-1-2-9-6-15-5-4-11(9)10/h1-6,12,16-17H,7-8H2,(H2,14,18).
What are the key properties of 2-hydroxy-3-(isoquinolin-5-ylmethylamino)propanamide?
2-hydroxy-3-(isoquinolin-5-ylmethylamino)propanamide has a molecular weight of 245.28 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(isoquinolin-5-ylmethylamino)propanamide is sourced from PubChem (CID 106171853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).