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

C25H28N4O3 — CID 53025293

IUPACN-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)c(OC)c1
InChIInChI=1S/C25H28N4O3/c1-17-4-6-18(7-5-17)21-10-11-24(28-27-21)29-14-12-19(13-15-29)25(30)26-22-9-8-20(31-2)16-23(22)32-3/h4-11,16,19H,12-15H2,1-3H3,(H,26,30)
InChIKeyKAXPNFFGLADVPF-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.32
Rot. Bonds6

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

N-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 53025293) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID53025293
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)c(OC)c1
InChIInChI=1S/C25H28N4O3/c1-17-4-6-18(7-5-17)21-10-11-24(28-27-21)29-14-12-19(13-15-29)25(30)26-22-9-8-20(31-2)16-23(22)32-3/h4-11,16,19H,12-15H2,1-3H3,(H,26,30)
InChIKeyKAXPNFFGLADVPF-UHFFFAOYSA-N
XLogP4.32
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)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

Related Compounds

N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025290
N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514213
N-(2,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514047
1-(2,4-dimethoxyphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992686
N-(3-acetamidophenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30361652
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 121071892
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 30362072
N-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30866725
N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 51691200
N-cyclopentyl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30361225
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 30361211
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 121071923

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 53025293) is N-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is KAXPNFFGLADVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-17-4-6-18(7-5-17)21-10-11-24(28-27-21)29-14-12-19(13-15-29)25(30)26-22-9-8-20(31-2)16-23(22)32-3/h4-11,16,19H,12-15H2,1-3H3,(H,26,30).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
N-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53025293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).