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

C19H23N5O3 — CID 113043578

IUPACethyl 4-[6-[(2-methylbenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3C)nn2)CC1
InChIInChI=1S/C19H23N5O3/c1-3-27-19(26)24-12-10-23(11-13-24)17-9-8-16(21-22-17)20-18(25)15-7-5-4-6-14(15)2/h4-9H,3,10-13H2,1-2H3,(H,20,21,25)
InChIKeyPKSAEBKFDIDQBG-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.32
Rot. Bonds4

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

ethyl 4-[6-[(2-methylbenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate (PubChem CID 113043578) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is ethyl 4-[6-[(2-methylbenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-[(2-methylbenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
PubChem CID113043578
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Nameethyl 4-[6-[(2-methylbenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3C)nn2)CC1
InChIInChI=1S/C19H23N5O3/c1-3-27-19(26)24-12-10-23(11-13-24)17-9-8-16(21-22-17)20-18(25)15-7-5-4-6-14(15)2/h4-9H,3,10-13H2,1-2H3,(H,20,21,25)
InChIKeyPKSAEBKFDIDQBG-UHFFFAOYSA-N
XLogP2.32
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043584
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-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043606
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-(2-methylphenyl)acetamide
CID 113040589
ethyl 4-[6-(1,3-benzodioxole-5-carbonylamino)pyridazin-3-yl]piperazine-1-carboxylate
CID 113043599
ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate
CID 16883423
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
ethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate
CID 113043939
ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 670873
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113040220
ethyl 4-[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109111593

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-[(2-methylbenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-[(2-methylbenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate (CID 113043578) is ethyl 4-[6-[(2-methylbenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-[(2-methylbenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-[(2-methylbenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3C)nn2)CC1.
What is the InChIKey of ethyl 4-[6-[(2-methylbenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate?
The InChIKey is PKSAEBKFDIDQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-3-27-19(26)24-12-10-23(11-13-24)17-9-8-16(21-22-17)20-18(25)15-7-5-4-6-14(15)2/h4-9H,3,10-13H2,1-2H3,(H,20,21,25).
What are the key properties of ethyl 4-[6-[(2-methylbenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate?
ethyl 4-[6-[(2-methylbenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate has a molecular weight of 369.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-[(2-methylbenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 113043578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).