N-cyclopentyl-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide

C21H21N3O2 — CID 18102405

IUPACN-cyclopentyl-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCN(C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)C1CCCC1
InChIInChI=1S/C21H21N3O2/c1-23(15-9-5-6-10-15)21(26)19-17-13-7-8-14-18(17)20(25)24(22-19)16-11-3-2-4-12-16/h2-4,7-8,11-15H,5-6,9-10H2,1H3
InChIKeySGPBQPMNMZYVMO-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.40
Rot. Bonds3

About N-cyclopentyl-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide

N-cyclopentyl-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 18102405) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID18102405
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-cyclopentyl-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCN(C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)C1CCCC1
InChIInChI=1S/C21H21N3O2/c1-23(15-9-5-6-10-15)21(26)19-17-13-7-8-14-18(17)20(25)24(22-19)16-11-3-2-4-12-16/h2-4,7-8,11-15H,5-6,9-10H2,1H3
InChIKeySGPBQPMNMZYVMO-UHFFFAOYSA-N
XLogP3.40
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-N-methyl-4-oxo-3-phenylphthalazine-1-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 N-cyclopentyl-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-cyclopentyl-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide (CID 18102405) is N-cyclopentyl-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide is CN(C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is SGPBQPMNMZYVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-23(15-9-5-6-10-15)21(26)19-17-13-7-8-14-18(17)20(25)24(22-19)16-11-3-2-4-12-16/h2-4,7-8,11-15H,5-6,9-10H2,1H3.
What are the key properties of N-cyclopentyl-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide?
N-cyclopentyl-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 18102405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).