4-hydroxy-N-isoquinolin-5-ylpyrrolidine-2-carboxamide

C14H15N3O2 — CID 43702244

IUPAC4-hydroxy-N-isoquinolin-5-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc2cnccc12)C1CC(O)CN1
InChIInChI=1S/C14H15N3O2/c18-10-6-13(16-8-10)14(19)17-12-3-1-2-9-7-15-5-4-11(9)12/h1-5,7,10,13,16,18H,6,8H2,(H,17,19)
InChIKeyDKRHOZMWDBRPSR-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.90
Rot. Bonds2

About 4-hydroxy-N-isoquinolin-5-ylpyrrolidine-2-carboxamide

4-hydroxy-N-isoquinolin-5-ylpyrrolidine-2-carboxamide (PubChem CID 43702244) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-hydroxy-N-isoquinolin-5-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-isoquinolin-5-ylpyrrolidine-2-carboxamide
PubChem CID43702244
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-hydroxy-N-isoquinolin-5-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc2cnccc12)C1CC(O)CN1
InChIInChI=1S/C14H15N3O2/c18-10-6-13(16-8-10)14(19)17-12-3-1-2-9-7-15-5-4-11(9)12/h1-5,7,10,13,16,18H,6,8H2,(H,17,19)
InChIKeyDKRHOZMWDBRPSR-UHFFFAOYSA-N
XLogP0.90
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-N-isoquinolin-5-ylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-isoquinolin-5-ylcyclopropane-1-carboxamide
CID 114995606
1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-isoquinolin-5-ylurea
CID 69185205
N-isoquinolin-5-ylpiperidine-3-carboxamide
CID 43702210
(3S,4R)-N-isoquinolin-5-yl-4-phenylpyrrolidine-3-carboxamide
CID 156839400
(3R,4S)-4-(4-fluorophenyl)-N-isoquinolin-5-ylpyrrolidine-3-carboxamide
CID 156839080
N-(3-chloro-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119671777
N-isoquinolin-5-yl-4-thiophen-2-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 162471099
4-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 120607826
(3R,4R)-N-isoquinolin-5-yl-4-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 162470972
4-hydroxy-N-(2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide
CID 60946063
N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120817
(3S,4R)-3-(4-fluorophenyl)-4-(isoquinolin-5-ylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 166790482

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-isoquinolin-5-ylpyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-isoquinolin-5-ylpyrrolidine-2-carboxamide (CID 43702244) is 4-hydroxy-N-isoquinolin-5-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-isoquinolin-5-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-isoquinolin-5-ylpyrrolidine-2-carboxamide is O=C(Nc1cccc2cnccc12)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-isoquinolin-5-ylpyrrolidine-2-carboxamide?
The InChIKey is DKRHOZMWDBRPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-10-6-13(16-8-10)14(19)17-12-3-1-2-9-7-15-5-4-11(9)12/h1-5,7,10,13,16,18H,6,8H2,(H,17,19).
What are the key properties of 4-hydroxy-N-isoquinolin-5-ylpyrrolidine-2-carboxamide?
4-hydroxy-N-isoquinolin-5-ylpyrrolidine-2-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-isoquinolin-5-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 43702244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).