N-(3,5-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide

C25H28N4O4 — CID 30866732

IUPACN-(3,5-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2ccc(N3CCC(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
InChIInChI=1S/C25H28N4O4/c1-31-20-6-4-17(5-7-20)23-8-9-24(28-27-23)29-12-10-18(11-13-29)25(30)26-19-14-21(32-2)16-22(15-19)33-3/h4-9,14-16,18H,10-13H2,1-3H3,(H,26,30)
InChIKeyQFRLXEDJGHANFW-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.02
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide

N-(3,5-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 30866732) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID30866732
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-(3,5-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2ccc(N3CCC(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1
InChIInChI=1S/C25H28N4O4/c1-31-20-6-4-17(5-7-20)23-8-9-24(28-27-23)29-12-10-18(11-13-29)25(30)26-19-14-21(32-2)16-22(15-19)33-3/h4-9,14-16,18H,10-13H2,1-3H3,(H,26,30)
InChIKeyQFRLXEDJGHANFW-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-(3,5-dimethoxyphenyl)-1-[6-(4-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-(3,5-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 30866732) is N-(3,5-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide is COc1ccc(-c2ccc(N3CCC(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is QFRLXEDJGHANFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-31-20-6-4-17(5-7-20)23-8-9-24(28-27-23)29-12-10-18(11-13-29)25(30)26-19-14-21(32-2)16-22(15-19)33-3/h4-9,14-16,18H,10-13H2,1-3H3,(H,26,30).
What are the key properties of N-(3,5-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
N-(3,5-dimethoxyphenyl)-1-[6-(4-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-(3,5-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30866732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).