3-oxo-2-propyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoindole-4-carboxamide

C23H27N3O2 — CID 3240431

IUPAC3-oxo-2-propyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoindole-4-carboxamide
SMILESCCCN1Cc2cccc(C(=O)Nc3ccc(CN4CCCC4)cc3)c2C1=O
InChIInChI=1S/C23H27N3O2/c1-2-12-26-16-18-6-5-7-20(21(18)23(26)28)22(27)24-19-10-8-17(9-11-19)15-25-13-3-4-14-25/h5-11H,2-4,12-16H2,1H3,(H,24,27)
InChIKeyCMQFHBQZIIXTDC-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.90
Rot. Bonds6

About 3-oxo-2-propyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoindole-4-carboxamide

3-oxo-2-propyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoindole-4-carboxamide (PubChem CID 3240431) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-oxo-2-propyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name3-oxo-2-propyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoindole-4-carboxamide
PubChem CID3240431
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-oxo-2-propyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoindole-4-carboxamide
SMILESCCCN1Cc2cccc(C(=O)Nc3ccc(CN4CCCC4)cc3)c2C1=O
InChIInChI=1S/C23H27N3O2/c1-2-12-26-16-18-6-5-7-20(21(18)23(26)28)22(27)24-19-10-8-17(9-11-19)15-25-13-3-4-14-25/h5-11H,2-4,12-16H2,1H3,(H,24,27)
InChIKeyCMQFHBQZIIXTDC-UHFFFAOYSA-N
XLogP3.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-oxo-2-propyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoindole-4-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 3-oxo-2-propyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoindole-4-carboxamide?
The IUPAC name of 3-oxo-2-propyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoindole-4-carboxamide (CID 3240431) is 3-oxo-2-propyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoindole-4-carboxamide.
What is the SMILES notation for 3-oxo-2-propyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoindole-4-carboxamide?
The canonical SMILES for 3-oxo-2-propyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoindole-4-carboxamide is CCCN1Cc2cccc(C(=O)Nc3ccc(CN4CCCC4)cc3)c2C1=O.
What is the InChIKey of 3-oxo-2-propyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoindole-4-carboxamide?
The InChIKey is CMQFHBQZIIXTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-2-12-26-16-18-6-5-7-20(21(18)23(26)28)22(27)24-19-10-8-17(9-11-19)15-25-13-3-4-14-25/h5-11H,2-4,12-16H2,1H3,(H,24,27).
What are the key properties of 3-oxo-2-propyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoindole-4-carboxamide?
3-oxo-2-propyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoindole-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-propyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoindole-4-carboxamide is sourced from PubChem (CID 3240431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).