dimethyl 2-[[1-(6-phenylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate

C26H26N4O5 — CID 30360791

IUPACdimethyl 2-[[1-(6-phenylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)c1
InChIInChI=1S/C26H26N4O5/c1-34-25(32)19-8-9-20(26(33)35-2)22(16-19)27-24(31)18-12-14-30(15-13-18)23-11-10-21(28-29-23)17-6-4-3-5-7-17/h3-11,16,18H,12-15H2,1-2H3,(H,27,31)
InChIKeyUEZZPCIGSKRXMN-UHFFFAOYSA-N
MW474.52 g/mol
LogP3.57
Rot. Bonds6

About dimethyl 2-[[1-(6-phenylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate

dimethyl 2-[[1-(6-phenylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate (PubChem CID 30360791) has the molecular formula C26H26N4O5 and a molecular weight of 474.52 g/mol. Its IUPAC name is dimethyl 2-[[1-(6-phenylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[[1-(6-phenylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate
PubChem CID30360791
Molecular FormulaC26H26N4O5
Molecular Weight474.52 g/mol
Exact Mass474.19
IUPAC Namedimethyl 2-[[1-(6-phenylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)c1
InChIInChI=1S/C26H26N4O5/c1-34-25(32)19-8-9-20(26(33)35-2)22(16-19)27-24(31)18-12-14-30(15-13-18)23-11-10-21(28-29-23)17-6-4-3-5-7-17/h3-11,16,18H,12-15H2,1-2H3,(H,27,31)
InChIKeyUEZZPCIGSKRXMN-UHFFFAOYSA-N
XLogP3.57
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze dimethyl 2-[[1-(6-phenylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate with MolForge

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Related Compounds

methyl 2-[[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]benzoate
CID 30363740
methyl 4-[[1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzoate
CID 30365220
1-(6-phenylpyridazin-3-yl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 30360856
N-(4-bromo-2-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360960
N-(4-methylsulfanylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 121072060
N-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364975
N-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025293
N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360643
N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360826
N-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30866725
N-(3-acetamidophenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30361652
N-(2,4-dimethylphenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365483

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[1-(6-phenylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[[1-(6-phenylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate (CID 30360791) is dimethyl 2-[[1-(6-phenylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[[1-(6-phenylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[[1-(6-phenylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)c1.
What is the InChIKey of dimethyl 2-[[1-(6-phenylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate?
The InChIKey is UEZZPCIGSKRXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5/c1-34-25(32)19-8-9-20(26(33)35-2)22(16-19)27-24(31)18-12-14-30(15-13-18)23-11-10-21(28-29-23)17-6-4-3-5-7-17/h3-11,16,18H,12-15H2,1-2H3,(H,27,31).
What are the key properties of dimethyl 2-[[1-(6-phenylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate?
dimethyl 2-[[1-(6-phenylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate has a molecular weight of 474.52 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[1-(6-phenylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 30360791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).