4-pyrrolidin-1-ylisoquinoline-6-carboxamide

C14H15N3O — CID 58495819

IUPAC4-pyrrolidin-1-ylisoquinoline-6-carboxamide
SMILESNC(=O)c1ccc2cncc(N3CCCC3)c2c1
InChIInChI=1S/C14H15N3O/c15-14(18)10-3-4-11-8-16-9-13(12(11)7-10)17-5-1-2-6-17/h3-4,7-9H,1-2,5-6H2,(H2,15,18)
InChIKeyYRSJZCVDETZHAB-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.93
Rot. Bonds2

About 4-pyrrolidin-1-ylisoquinoline-6-carboxamide

4-pyrrolidin-1-ylisoquinoline-6-carboxamide (PubChem CID 58495819) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylisoquinoline-6-carboxamide.

Molecular Properties

Compound Name4-pyrrolidin-1-ylisoquinoline-6-carboxamide
PubChem CID58495819
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-pyrrolidin-1-ylisoquinoline-6-carboxamide
SMILESNC(=O)c1ccc2cncc(N3CCCC3)c2c1
InChIInChI=1S/C14H15N3O/c15-14(18)10-3-4-11-8-16-9-13(12(11)7-10)17-5-1-2-6-17/h3-4,7-9H,1-2,5-6H2,(H2,15,18)
InChIKeyYRSJZCVDETZHAB-UHFFFAOYSA-N
XLogP1.93
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-pyrrolidin-1-ylisoquinoline-6-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 4-pyrrolidin-1-ylisoquinoline-6-carboxamide?
The IUPAC name of 4-pyrrolidin-1-ylisoquinoline-6-carboxamide (CID 58495819) is 4-pyrrolidin-1-ylisoquinoline-6-carboxamide.
What is the SMILES notation for 4-pyrrolidin-1-ylisoquinoline-6-carboxamide?
The canonical SMILES for 4-pyrrolidin-1-ylisoquinoline-6-carboxamide is NC(=O)c1ccc2cncc(N3CCCC3)c2c1.
What is the InChIKey of 4-pyrrolidin-1-ylisoquinoline-6-carboxamide?
The InChIKey is YRSJZCVDETZHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-14(18)10-3-4-11-8-16-9-13(12(11)7-10)17-5-1-2-6-17/h3-4,7-9H,1-2,5-6H2,(H2,15,18).
What are the key properties of 4-pyrrolidin-1-ylisoquinoline-6-carboxamide?
4-pyrrolidin-1-ylisoquinoline-6-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylisoquinoline-6-carboxamide is sourced from PubChem (CID 58495819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).