N-(2,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide

C25H28N4O4 — CID 30866851

IUPACN-(2,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ccc(-c4ccccc4OC)nn3)CC2)c(OC)c1
InChIInChI=1S/C25H28N4O4/c1-31-18-8-9-21(23(16-18)33-3)26-25(30)17-12-14-29(15-13-17)24-11-10-20(27-28-24)19-6-4-5-7-22(19)32-2/h4-11,16-17H,12-15H2,1-3H3,(H,26,30)
InChIKeyCFPJLFYHFFZYGV-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.02
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide

N-(2,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 30866851) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID30866851
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-(2,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ccc(-c4ccccc4OC)nn3)CC2)c(OC)c1
InChIInChI=1S/C25H28N4O4/c1-31-18-8-9-21(23(16-18)33-3)26-25(30)17-12-14-29(15-13-17)24-11-10-20(27-28-24)19-6-4-5-7-22(19)32-2/h4-11,16-17H,12-15H2,1-3H3,(H,26,30)
InChIKeyCFPJLFYHFFZYGV-UHFFFAOYSA-N
XLogP4.02
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-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 N-(2,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 30866851) is N-(2,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3ccc(-c4ccccc4OC)nn3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is CFPJLFYHFFZYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-31-18-8-9-21(23(16-18)33-3)26-25(30)17-12-14-29(15-13-17)24-11-10-20(27-28-24)19-6-4-5-7-22(19)32-2/h4-11,16-17H,12-15H2,1-3H3,(H,26,30).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
N-(2,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30866851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).