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

C19H23N5O4 — CID 113043584

IUPACethyl 4-[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3OC)nn2)CC1
InChIInChI=1S/C19H23N5O4/c1-3-28-19(26)24-12-10-23(11-13-24)17-9-8-16(21-22-17)20-18(25)14-6-4-5-7-15(14)27-2/h4-9H,3,10-13H2,1-2H3,(H,20,21,25)
InChIKeyPNBLJPISPHPFKY-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.02
Rot. Bonds5

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

ethyl 4-[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate (PubChem CID 113043584) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is ethyl 4-[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
PubChem CID113043584
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Nameethyl 4-[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3OC)nn2)CC1
InChIInChI=1S/C19H23N5O4/c1-3-28-19(26)24-12-10-23(11-13-24)17-9-8-16(21-22-17)20-18(25)14-6-4-5-7-15(14)27-2/h4-9H,3,10-13H2,1-2H3,(H,20,21,25)
InChIKeyPNBLJPISPHPFKY-UHFFFAOYSA-N
XLogP2.02
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[6-[(2-methylbenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043578
ethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043606
ethyl 4-[6-(2,2-dimethylpropanoylamino)pyridazin-3-yl]piperazine-1-carboxylate
CID 113043573
ethyl 4-[6-[(3-chlorobenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043596
ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate
CID 16883423
N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide
CID 113043687
ethyl 4-[4-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 109174336
ethyl 4-[6-(1,3-benzodioxole-5-carbonylamino)pyridazin-3-yl]piperazine-1-carboxylate
CID 113043599
1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 122350758
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-(2-methylphenyl)acetamide
CID 113040589
2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543765
(2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883306

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate (CID 113043584) is ethyl 4-[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3OC)nn2)CC1.
What is the InChIKey of ethyl 4-[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate?
The InChIKey is PNBLJPISPHPFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-3-28-19(26)24-12-10-23(11-13-24)17-9-8-16(21-22-17)20-18(25)14-6-4-5-7-15(14)27-2/h4-9H,3,10-13H2,1-2H3,(H,20,21,25).
What are the key properties of ethyl 4-[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate?
ethyl 4-[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 113043584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).