2-amino-N-isoquinolin-5-ylcyclopropane-1-carboxamide

C13H13N3O — CID 114995606

IUPAC2-amino-N-isoquinolin-5-ylcyclopropane-1-carboxamide
SMILESNC1CC1C(=O)Nc1cccc2cnccc12
InChIInChI=1S/C13H13N3O/c14-11-6-10(11)13(17)16-12-3-1-2-8-7-15-5-4-9(8)12/h1-5,7,10-11H,6,14H2,(H,16,17)
InChIKeyDVOHCFHWJNTFMX-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.52
Rot. Bonds2

About 2-amino-N-isoquinolin-5-ylcyclopropane-1-carboxamide

2-amino-N-isoquinolin-5-ylcyclopropane-1-carboxamide (PubChem CID 114995606) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-amino-N-isoquinolin-5-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-isoquinolin-5-ylcyclopropane-1-carboxamide
PubChem CID114995606
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-amino-N-isoquinolin-5-ylcyclopropane-1-carboxamide
SMILESNC1CC1C(=O)Nc1cccc2cnccc12
InChIInChI=1S/C13H13N3O/c14-11-6-10(11)13(17)16-12-3-1-2-8-7-15-5-4-9(8)12/h1-5,7,10-11H,6,14H2,(H,16,17)
InChIKeyDVOHCFHWJNTFMX-UHFFFAOYSA-N
XLogP1.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-N-isoquinolin-5-yl-4-phenylpyrrolidine-3-carboxamide
CID 156839400
4-hydroxy-N-isoquinolin-5-ylpyrrolidine-2-carboxamide
CID 43702244
(3R,4S)-4-(4-fluorophenyl)-N-isoquinolin-5-ylpyrrolidine-3-carboxamide
CID 156839080
(3S,4R)-3-(4-fluorophenyl)-4-(isoquinolin-5-ylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 166790482
(3R,4R)-3-(isoquinolin-5-ylcarbamoyl)-4-thiophen-2-ylpyrrolidine-1-carboxylic acid
CID 166518448
N-isoquinolin-5-yl-4-thiophen-2-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 162471099
(3R,4R)-N-isoquinolin-5-yl-4-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 162470972
N-isoquinolin-5-ylpiperidine-3-carboxamide
CID 43702210
2-amino-N-isoquinolin-5-yl-2-methylpropanamide
CID 61264999
isoquinolin-5-ylthiourea
CID 1480924
tert-butyl (3R,4R)-3-(isoquinolin-5-ylcarbamoyl)-4-phenylpyrrolidine-1-carboxylate
CID 162470981
N-isoquinolin-5-yl-3-sulfanylpropanamide
CID 107023450

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-isoquinolin-5-ylcyclopropane-1-carboxamide?
The IUPAC name of 2-amino-N-isoquinolin-5-ylcyclopropane-1-carboxamide (CID 114995606) is 2-amino-N-isoquinolin-5-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-amino-N-isoquinolin-5-ylcyclopropane-1-carboxamide?
The canonical SMILES for 2-amino-N-isoquinolin-5-ylcyclopropane-1-carboxamide is NC1CC1C(=O)Nc1cccc2cnccc12.
What is the InChIKey of 2-amino-N-isoquinolin-5-ylcyclopropane-1-carboxamide?
The InChIKey is DVOHCFHWJNTFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-11-6-10(11)13(17)16-12-3-1-2-8-7-15-5-4-9(8)12/h1-5,7,10-11H,6,14H2,(H,16,17).
What are the key properties of 2-amino-N-isoquinolin-5-ylcyclopropane-1-carboxamide?
2-amino-N-isoquinolin-5-ylcyclopropane-1-carboxamide has a molecular weight of 227.27 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 2-amino-N-isoquinolin-5-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 114995606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).