1-amino-N-(5-oxopyrrolidin-3-yl)isoquinoline-3-carboxamide

C14H14N4O2 — CID 106197820

IUPAC1-amino-N-(5-oxopyrrolidin-3-yl)isoquinoline-3-carboxamide
SMILESNc1nc(C(=O)NC2CNC(=O)C2)cc2ccccc12
InChIInChI=1S/C14H14N4O2/c15-13-10-4-2-1-3-8(10)5-11(18-13)14(20)17-9-6-12(19)16-7-9/h1-5,9H,6-7H2,(H2,15,18)(H,16,19)(H,17,20)
InChIKeyHMOOYNVQTBYASV-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.44
Rot. Bonds2

About 1-amino-N-(5-oxopyrrolidin-3-yl)isoquinoline-3-carboxamide

1-amino-N-(5-oxopyrrolidin-3-yl)isoquinoline-3-carboxamide (PubChem CID 106197820) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-amino-N-(5-oxopyrrolidin-3-yl)isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-amino-N-(5-oxopyrrolidin-3-yl)isoquinoline-3-carboxamide
PubChem CID106197820
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name1-amino-N-(5-oxopyrrolidin-3-yl)isoquinoline-3-carboxamide
SMILESNc1nc(C(=O)NC2CNC(=O)C2)cc2ccccc12
InChIInChI=1S/C14H14N4O2/c15-13-10-4-2-1-3-8(10)5-11(18-13)14(20)17-9-6-12(19)16-7-9/h1-5,9H,6-7H2,(H2,15,18)(H,16,19)(H,17,20)
InChIKeyHMOOYNVQTBYASV-UHFFFAOYSA-N
XLogP0.44
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-amino-N-(5-oxopyrrolidin-3-yl)isoquinoline-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(5-oxopyrrolidin-3-yl)isoquinoline-3-carboxamide?
The IUPAC name of 1-amino-N-(5-oxopyrrolidin-3-yl)isoquinoline-3-carboxamide (CID 106197820) is 1-amino-N-(5-oxopyrrolidin-3-yl)isoquinoline-3-carboxamide.
What is the SMILES notation for 1-amino-N-(5-oxopyrrolidin-3-yl)isoquinoline-3-carboxamide?
The canonical SMILES for 1-amino-N-(5-oxopyrrolidin-3-yl)isoquinoline-3-carboxamide is Nc1nc(C(=O)NC2CNC(=O)C2)cc2ccccc12.
What is the InChIKey of 1-amino-N-(5-oxopyrrolidin-3-yl)isoquinoline-3-carboxamide?
The InChIKey is HMOOYNVQTBYASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c15-13-10-4-2-1-3-8(10)5-11(18-13)14(20)17-9-6-12(19)16-7-9/h1-5,9H,6-7H2,(H2,15,18)(H,16,19)(H,17,20).
What are the key properties of 1-amino-N-(5-oxopyrrolidin-3-yl)isoquinoline-3-carboxamide?
1-amino-N-(5-oxopyrrolidin-3-yl)isoquinoline-3-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(5-oxopyrrolidin-3-yl)isoquinoline-3-carboxamide is sourced from PubChem (CID 106197820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).