(2R)-2-amino-N-isoquinolin-5-ylpentanamide

C14H17N3O — CID 107568420

IUPAC(2R)-2-amino-N-isoquinolin-5-ylpentanamide
SMILESCCC[C@@H](N)C(=O)Nc1cccc2cnccc12
InChIInChI=1S/C14H17N3O/c1-2-4-12(15)14(18)17-13-6-3-5-10-9-16-8-7-11(10)13/h3,5-9,12H,2,4,15H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyQTFAXLOAGKNIGR-GFCCVEGCSA-N
MW243.31 g/mol
LogP2.30
Rot. Bonds4

About (2R)-2-amino-N-isoquinolin-5-ylpentanamide

(2R)-2-amino-N-isoquinolin-5-ylpentanamide (PubChem CID 107568420) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (2R)-2-amino-N-isoquinolin-5-ylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-isoquinolin-5-ylpentanamide
PubChem CID107568420
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(2R)-2-amino-N-isoquinolin-5-ylpentanamide
SMILESCCC[C@@H](N)C(=O)Nc1cccc2cnccc12
InChIInChI=1S/C14H17N3O/c1-2-4-12(15)14(18)17-13-6-3-5-10-9-16-8-7-11(10)13/h3,5-9,12H,2,4,15H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyQTFAXLOAGKNIGR-GFCCVEGCSA-N
XLogP2.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-quinolin-8-ylpentanamide
CID 103813268
(2S)-2-amino-N-isoquinolin-5-yl-2-phenylacetamide
CID 104897242
(2S)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide
CID 107570334
(2R)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide
CID 107570335
3-amino-3-hydroxyimino-N-isoquinolin-5-yl-2-methylpropanamide
CID 76925512
2-amino-N-isoquinolin-5-yl-2-methylpropanamide
CID 61264999
N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide
CID 54924139
3-(ethylamino)-N-isoquinolin-5-ylpropanamide
CID 62831440
2-ethoxy-N-isoquinolin-5-ylacetamide
CID 60719162
N-isoquinolin-5-yl-2-(4-propylphenoxy)decanamide
CID 14995411
N-isoquinolin-5-yl-3,3-dimethylbutanamide
CID 29371824
3-(isoquinolin-5-ylcarbamoylamino)propanoic acid
CID 61205972

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-isoquinolin-5-ylpentanamide?
The IUPAC name of (2R)-2-amino-N-isoquinolin-5-ylpentanamide (CID 107568420) is (2R)-2-amino-N-isoquinolin-5-ylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-isoquinolin-5-ylpentanamide?
The canonical SMILES for (2R)-2-amino-N-isoquinolin-5-ylpentanamide is CCC[C@@H](N)C(=O)Nc1cccc2cnccc12.
What is the InChIKey of (2R)-2-amino-N-isoquinolin-5-ylpentanamide?
The InChIKey is QTFAXLOAGKNIGR-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-4-12(15)14(18)17-13-6-3-5-10-9-16-8-7-11(10)13/h3,5-9,12H,2,4,15H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-isoquinolin-5-ylpentanamide?
(2R)-2-amino-N-isoquinolin-5-ylpentanamide has a molecular weight of 243.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-isoquinolin-5-ylpentanamide is sourced from PubChem (CID 107568420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).