(2R)-2-amino-N-isoquinolin-7-ylpropanamide

C12H13N3O — CID 143835727

IUPAC(2R)-2-amino-N-isoquinolin-7-ylpropanamide
SMILESC[C@@H](N)C(=O)Nc1ccc2ccncc2c1
InChIInChI=1S/C12H13N3O/c1-8(13)12(16)15-11-3-2-9-4-5-14-7-10(9)6-11/h2-8H,13H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyZQCVDYJKILOVEG-MRVPVSSYSA-N
MW215.26 g/mol
LogP1.52
Rot. Bonds2

About (2R)-2-amino-N-isoquinolin-7-ylpropanamide

(2R)-2-amino-N-isoquinolin-7-ylpropanamide (PubChem CID 143835727) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (2R)-2-amino-N-isoquinolin-7-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-isoquinolin-7-ylpropanamide
PubChem CID143835727
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(2R)-2-amino-N-isoquinolin-7-ylpropanamide
SMILESC[C@@H](N)C(=O)Nc1ccc2ccncc2c1
InChIInChI=1S/C12H13N3O/c1-8(13)12(16)15-11-3-2-9-4-5-14-7-10(9)6-11/h2-8H,13H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyZQCVDYJKILOVEG-MRVPVSSYSA-N
XLogP1.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-pyridin-4-ylpropanamide
CID 78972247
2-amino-N-(4-pyridin-4-ylphenyl)propanamide
CID 110460098
ethyl 2-(isoquinolin-7-ylamino)-2-oxoacetate
CID 58603917
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
2-amino-N-isoquinolin-6-ylpentanediamide
CID 135200054
2-amino-N-(3-hydroxy-4-pyridinyl)propanamide
CID 131086156
N-isoquinolin-6-yl-2,2-dimethylpropanamide
CID 135199975
(2R)-2-amino-3-methyl-N-naphthalen-2-ylbutanamide
CID 671224
(2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide
CID 130857652
ethyl N-isoquinolin-6-ylcarbamate
CID 22674074
3-amino-N-isoquinolin-6-yl-2-phenylpropanamide;N-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide;propan-2-one
CID 157431706
(2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 78973407

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-isoquinolin-7-ylpropanamide?
The IUPAC name of (2R)-2-amino-N-isoquinolin-7-ylpropanamide (CID 143835727) is (2R)-2-amino-N-isoquinolin-7-ylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-isoquinolin-7-ylpropanamide?
The canonical SMILES for (2R)-2-amino-N-isoquinolin-7-ylpropanamide is C[C@@H](N)C(=O)Nc1ccc2ccncc2c1.
What is the InChIKey of (2R)-2-amino-N-isoquinolin-7-ylpropanamide?
The InChIKey is ZQCVDYJKILOVEG-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8(13)12(16)15-11-3-2-9-4-5-14-7-10(9)6-11/h2-8H,13H2,1H3,(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-isoquinolin-7-ylpropanamide?
(2R)-2-amino-N-isoquinolin-7-ylpropanamide has a molecular weight of 215.26 g/mol, XLogP of 1.52, 2 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-7-ylpropanamide is sourced from PubChem (CID 143835727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).