ethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate

C20H25N5O3 — CID 113043606

IUPACethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(C)cc3)nn2)CC1
InChIInChI=1S/C20H25N5O3/c1-3-28-20(27)25-12-10-24(11-13-25)18-9-8-17(22-23-18)21-19(26)14-16-6-4-15(2)5-7-16/h4-9H,3,10-14H2,1-2H3,(H,21,22,26)
InChIKeyRFQODQVPTDCYKG-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.24
Rot. Bonds5

About ethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate

ethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate (PubChem CID 113043606) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is ethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate
PubChem CID113043606
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Nameethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(C)cc3)nn2)CC1
InChIInChI=1S/C20H25N5O3/c1-3-28-20(27)25-12-10-24(11-13-25)18-9-8-17(22-23-18)21-19(26)14-16-6-4-15(2)5-7-16/h4-9H,3,10-14H2,1-2H3,(H,21,22,26)
InChIKeyRFQODQVPTDCYKG-UHFFFAOYSA-N
XLogP2.24
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[6-(2,2-dimethylpropanoylamino)pyridazin-3-yl]piperazine-1-carboxylate
CID 113043573
ethyl 4-[6-[(2-methylbenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043578
ethyl 4-[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043584
2-(4-methoxyphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113040242
ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate
CID 16883423
ethyl 4-[6-(1,3-benzodioxole-5-carbonylamino)pyridazin-3-yl]piperazine-1-carboxylate
CID 113043599
ethyl 4-[6-[(3-chlorobenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043596
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-(2-methylphenyl)acetamide
CID 113040589
2-(4-chlorophenyl)-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 7178188
4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122350650
2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylpyridazin-3-yl)acetamide
CID 113038736
ethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate
CID 113043939

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate (CID 113043606) is ethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(C)cc3)nn2)CC1.
What is the InChIKey of ethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate?
The InChIKey is RFQODQVPTDCYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-3-28-20(27)25-12-10-24(11-13-25)18-9-8-17(22-23-18)21-19(26)14-16-6-4-15(2)5-7-16/h4-9H,3,10-14H2,1-2H3,(H,21,22,26).
What are the key properties of ethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate?
ethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 113043606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).