1-(8-aminoisoquinolin-5-yl)pyrrolidine-2-carboxamide

C14H16N4O — CID 43448676

IUPAC1-(8-aminoisoquinolin-5-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1ccc(N)c2cnccc12
InChIInChI=1S/C14H16N4O/c15-11-3-4-12(9-5-6-17-8-10(9)11)18-7-1-2-13(18)14(16)19/h3-6,8,13H,1-2,7,15H2,(H2,16,19)
InChIKeyJMRCZZDQKZSPBB-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.27
Rot. Bonds2

About 1-(8-aminoisoquinolin-5-yl)pyrrolidine-2-carboxamide

1-(8-aminoisoquinolin-5-yl)pyrrolidine-2-carboxamide (PubChem CID 43448676) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(8-aminoisoquinolin-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(8-aminoisoquinolin-5-yl)pyrrolidine-2-carboxamide
PubChem CID43448676
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-(8-aminoisoquinolin-5-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1ccc(N)c2cnccc12
InChIInChI=1S/C14H16N4O/c15-11-3-4-12(9-5-6-17-8-10(9)11)18-7-1-2-13(18)14(16)19/h3-6,8,13H,1-2,7,15H2,(H2,16,19)
InChIKeyJMRCZZDQKZSPBB-UHFFFAOYSA-N
XLogP1.27
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(8-aminoisoquinolin-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(8-aminoisoquinolin-5-yl)pyrrolidine-2-carboxamide (CID 43448676) is 1-(8-aminoisoquinolin-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(8-aminoisoquinolin-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(8-aminoisoquinolin-5-yl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1c1ccc(N)c2cnccc12.
What is the InChIKey of 1-(8-aminoisoquinolin-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is JMRCZZDQKZSPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-11-3-4-12(9-5-6-17-8-10(9)11)18-7-1-2-13(18)14(16)19/h3-6,8,13H,1-2,7,15H2,(H2,16,19).
What are the key properties of 1-(8-aminoisoquinolin-5-yl)pyrrolidine-2-carboxamide?
1-(8-aminoisoquinolin-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-aminoisoquinolin-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43448676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).